Doç. Dr. İSMAİL ÇELİK

Yayın Ağı

Makaleler 148

1. Design, synthesis, anticancer evaluation, biological screening, and computational study of novel 6,7-dimethoxyquinazoline derivatives as VEGFR-2 inhibitors and apoptotic inducers

Aref M. M., Abdallah A. E., Dahab M. A., Mohamed A. A., ÇELİK İ., Bawazir W. A., et al.

European Journal of Medicinal Chemistry , cilt.301, 2026 (SCI-Expanded, Scopus)

2. Evaluation of oxadiazole-N-phenylacetamide conjugates as VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, anti-proliferative assessment, molecular docking, and dynamics studies.

Otify I. I., Ayyad R. R. A., Celik İ., Sakr H., Elwan A.

Future medicinal chemistry , ss.1-16, 2025 (SCI-Expanded, Scopus)

3. Investigation of anti-inflammatory activity and metabolomic profiling of two varieties of Taxodium distichum (L.) Rich (bald cypress) using UPLC/MS/MS coupled to multivariate analysis: molecular docking, and molecular dynamic studies

Selim D. A., Hammoda H. M., Ghareeb D. A., Osama H. M., Abdelrahim F. A., ÇELİK İ., et al.

South African Journal of Botany , cilt.184, ss.603-616, 2025 (SCI-Expanded, Scopus)

4. SynthesIs, antiproliferative evaluation and in silico studies of new quinazoline derivatives as VEGFR-2 inhibitors.

Abdelsalam Ouf A. M., Marzouk A. A., Shaykoon M. S. A., Celik İ., Bakhotmah D. A., Mansour A. A., et al.

Future medicinal chemistry , ss.1-16, 2025 (SCI-Expanded, Scopus)

5. Molecular mechanisms of phytoconstituents from selected Egyptian plants against non-small cell lung cancer using integrated in vitro network pharmacology and molecular docking approach

Shaala L. A., Youssef D. T. A., Ramadan M. A., Khalifa A. A., Ibrahim R. S., Valeriote F., et al.

Naunyn-Schmiedeberg's Archives of Pharmacology , cilt.398, sa.7, ss.9061-9082, 2025 (SCI-Expanded, Scopus)

6. Insight into potential anti-diabetic metabolites of Sycamore fig (Ficus sycomorus L.) across fruit development using metabolomics and molecular docking

Kishk M. A., Shawky E., Selim D. A., Ghareeb D. A., Çelik İ., Darwish R. S., et al.

MICROCHEMICAL JOURNAL , cilt.213, sa.113597, ss.1-13, 2025 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

7. Ternary Complex Modeling, Induced Fit Docking and Molecular Dynamics Simulations as a Successful Approach for the Design of VHL-Mediated PROTACs Targeting the Kinase FLT3.

Nassar H., Sarnow A., Celik İ., Abdelsalam M., Robaa D., Sippl W.

Archiv der Pharmazie , cilt.358, sa.4, 2025 (SCI-Expanded, Scopus)

8. Design, synthesis, and biological evaluation of novel amidoxime or amidine analogues of some 4-anilino-6,7-dimethoxyquinazolines with a potent EGFR inhibitory effect.

Acar Halıcı C., Göker H., Kütük Ö., Çelik İ., Altuntaş T. G.

Bioorganic chemistry , cilt.158, ss.108345, 2025 (SCI-Expanded, Scopus)

9. Discovery of New Immunomodulatory Anticancer Thalidomide Analogs: Design, Synthesis, Biological Evaluation and In Silico Studies

Abdallah A. E., Eissa I. H., Mehany A. B. M., ÇELİK İ., Sakr H., Metwaly K., et al.

Chemistry and Biodiversity , cilt.22, sa.3, 2025 (SCI-Expanded, Scopus)

10. **Novel triazoloquinazoline derivatives as VEGFR inhibitors: synthesis, cytotoxic evaluation and in silico studies**

Mabrouk R. R., Mahdy H. A., Abdallah A. E., ÇELİK İ., Ouf A. M. A., Alamoudi M. K., et al.

FUTURE MEDICINAL CHEMISTRY , 2025 (SCI-Expanded, Scopus)

11. Novel Benzimidazole-Oxadiazole Derivatives as Anticancer Agents with VEGFR2 Inhibitory Activity: Design, Synthesis, In Vitro Anticancer Evaluation, and In Silico Studies

Çevik U. A., ÇELİK İ., Görgülü Ş., ŞAHİN İNAN Z. D., BOSTANCI H. E., Karayel A., et al.

ACS Omega , cilt.10, sa.7, ss.6801-6813, 2025 (SCI-Expanded, Scopus)

12. Design, Synthesis, and Biological Evaluation of BODIPY-Caged Resiquimod as a Dual-Acting Phototherapeutic.

Roshdy E., Taniguchi H., Nakamura Y., Takahashi H., Kikuchi Y., Celik İ., et al.

Journal of medicinal chemistry , 2025 (SCI-Expanded, Scopus)

13. Investigation of the molecular interaction between apraclonidine, an α2-adrenergic receptor agonist, and bovine serum albumin using fluorescence and molecular docking techniques

Kucuk I., Küçükşahin Ö. B., YILDIRIM M., Kabir M. Z., SİLAH H., ÇELİK İ., et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.326, 2025 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

14. Probing the Molecular Mechanisms of Kratom's Antipsychotic Effects through a Multi-modal Computational Approach.

Wimbarti S., Tallei T. E., Kairupan B. H. R., Kapantow N. H., Ekatanti D., Fatriani R., et al.

Current pharmaceutical design , 2025 (SCI-Expanded, Scopus)

15. Synthesis of Thiazole-methylsulfonyl Derivatives, X-ray Study, and Investigation of Their Carbonic Anhydrase Activities: In Vitro and In Silico Potentials

Maryam Z., Işık A., Bağcı E. R., Yıldız M., Ünver H., KOÇYİĞİT Ü. M., et al.

ACS Omega , 2025 (SCI-Expanded, Scopus)

16. In vitro and in silico guided identification of antimalarial phytoconstituent(s) in the root of Citrus maxima (Burm.) Merr.

Gogoi N., Rudrapal M., Celik İ., Kaishap P. P., Chetia D.

Journal of biomolecular structure & dynamics , cilt.43, sa.2, ss.599-610, 2025 (SCI-Expanded, Scopus)

17. UPLC-MS/MS based metabolomic insights into antidiabetic potential of Astragalus: Deciphering species-specific bioactive metabolites in correlation to α-amylase and α-glucosidase inhibitory activities

Abdallah I. I., Shawky E., Mustafa R., ÇELİK İ., Selim D. A., Dekinash M. F.

Microchemical Journal , cilt.208, 2025 (SCI-Expanded, Scopus)

18. Unraveling the interaction mechanism between orphan drug Nitisinone and bovine serum albumin through spectroscopic and in silico approaches

Bilkay M., Yazıcı S., Erkmen C., Celik İ., Satana Kara H. E.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.322, 2024 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

19. Immunomodulation and anticancer evaluation of quinazoline-based thalidomide analogs: Design, synthesis, docking, and dynamic simulation

Abdallah A. E., Eissa I. H., Mehany A. B., Sakr H., Sakr T. M., Metwaly K., et al.

Journal of Molecular Structure , cilt.1317, 2024 (SCI-Expanded, Scopus)

20. A network pharmacology approach to elucidate the anti-inflammatory and antioxidant effects of bitter leaf (Vernonia amygdalina Del.)

Sailah I., Tallei T. E., Safitri L., Tamala Y., Halimatushadyah E., Ekatanti D., et al.

Narra J , cilt.4, sa.3, 2024 (Scopus)

21. Synergistic effect of potential alpha-amylase inhibitors from Egyptian propolis with acarbose using in silico and in vitro combination analysis

Nada A. A., Metwally A. M., Asaad A. M., ÇELİK İ., Ibrahim R. S., Eldin S. M. S.

BMC Complementary Medicine and Therapies , cilt.24, sa.1, 2024 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

22. Novel Hydrazide-Hydrazones Bearing a Benzimidazole Ring: Design, Synthesis, and Evaluation of Inhibitor Properties Against CA I and CA II Isozymes

Işık A., ACAR ÇEVİK U., ÇELİK İ., Küçükoğlu K., NADAROĞLU H., BOSTANCI H. E., et al.

Chemical Biology and Drug Design , cilt.104, sa.6, 2024 (SCI-Expanded, Scopus)

23. **Sedative and anxiolytic effects of Capparis sicula Duhamel: in vivo and in silico approaches with phytochemical profiling**

Karpuz Ağören B., Küpeli Akkol E., Çelik İ., Sobarzo-Sánchez E.

FRONTIERS IN PHARMACOLOGY , cilt.15, 2024 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

24. Benzimidazole-Containing Compounds as Anticancer Agents

Acar Çevik U., Isik A., Kaya B., Kapavarapu R., Rudrapal M., Halimi G., et al.

CHEMISTRYSELECT , cilt.9, sa.32, 2024 (SCI-Expanded, Scopus)

25. In vitro anti-Helicobacter pylori, anti-urease and anti-gastric cancer activities of novel hydrazones

Maryam Z., Kaya B., BOSTANCI H. E., Kısa D., ÇELİK İ., ACAR ÇEVİK U., et al.

Journal of Molecular Structure , cilt.1307, 2024 (SCI-Expanded, Scopus)

26. New benzimidazole-oxadiazole derivatives as potent VEGFR-2 inhibitors: Synthesis, anticancer evaluation, and docking study.

Acar Çevik U., Celik İ., Görgülü Ş., Şahin Inan Z. D., Bostancı H. E., Özkay Y., et al.

Drug development research , cilt.85, sa.4, 2024 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

27. Discovery and Anticancer Screening of Novel Oxindole-Based Derivative Bearing Pyridyl Group as Potent and Selective Dual FLT3/CDK2 Kinase Inhibitor.

Soudi A., Bender O., Celik İ., El-Hafeez A. A. A., Dogan R., Atalay A., et al.

Pharmaceuticals (Basel, Switzerland) , cilt.17, sa.5, 2024 (SCI-Expanded, Scopus)

28. Synthesis of novel indol-3-acetamido analogues as potent anticancer agents, biological evaluation and molecular modeling studies.

Doganc F., Ozkan T., Farhangzad N., Mavideniz A., Celik İ., Sunguroglu A., et al.

Bioorganic chemistry , cilt.148, ss.107429, 2024 (SCI-Expanded, Scopus)

29. Deciphering the putative bioactive metabolites and the underlying mechanism of Juniperus horizontalis Moench (Creeping juniper) in the treatment of inflammation using network pharmacology and molecular docking.

El-Banna A. A., Shawky E., Celik İ., Ghareeb D. A., Abdulmalek S. A., Darwish R. S.

The Journal of pharmacy and pharmacology , cilt.76, ss.514-533, 2024 (SCI-Expanded, Scopus)

30. **Synthesis, DFT Calculations, In Silico Studies, and Antimicrobial Evaluation of Benzimidazole-Thiadiazole Derivatives**

Isik A., ACAR ÇEVİK U., Karayel A., Ahmad I., Patel H., ÇELİK İ., et al.

ACS OMEGA , cilt.9, sa.16, ss.18469-18479, 2024 (SCI-Expanded, Scopus)

31. Investigating Potential Cancer Therapeutics: Insight into Histone Deacetylases (HDACs) Inhibitions.

Ahmad B., Saeed A., Al-Amery A., Celik İ., Ahmed I., Yaseen M., et al.

Pharmaceuticals (Basel, Switzerland) , cilt.17, sa.4, 2024 (SCI-Expanded, Scopus)

32. New Benzimidazole-Triazole Derivatives as Topoisomerase I Inhibitors: Design, Synthesis, Anticancer Screening, and Molecular Modeling Studies

Çevik U. A., Kaya B., ÇELİK İ., Rudrapal M., Rakshit G., Karayel A., et al.

ACS Omega , cilt.9, sa.11, ss.13359-13372, 2024 (SCI-Expanded, Scopus)

33. Interaction mechanism of a pesticide, Azoxystrobin with bovine serum albumin: Assessments through fluorescence, UV-Vis absorption, electrochemical and molecular docking simulation techniques

Erkmen C., Celik İ.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.308, 2024 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

34. Synthesis, Anticancer Activity, and In Silico Modeling of Alkylsulfonyl Benzimidazole Derivatives: Unveiling Potent Bcl-2 Inhibitors for Breast Cancer

Abbade Y., KIŞLA M. M., Hassan M. A., ÇELİK İ., DOĞAN T., MUTLU P., et al.

ACS Omega , cilt.9, sa.8, ss.9547-9563, 2024 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

35. Design, synthesis, and molecular docking studies of benzimidazole-1,3,4-triazole hybrids as carbonic anhydrase I and II inhibitors

ÇELİK İ., ACAR ÇEVİK U., Küçükoğlu K., NADAROĞLU H., BOSTANCI H. E., Işık A., et al.

Chemical Biology and Drug Design , cilt.103, sa.1, 2024 (SCI-Expanded, Scopus)

36. Unveiling the immunomodulatory mechanisms of pineapple metabolites: A multi-modal computational analysis using network pharmacology, molecular docking, and molecular dynamics simulation

Tallei T., Fatimawali F., Yelnetty A., Niode N., Kusumawaty D., Idroes R., et al.

Journal of Advanced Biotechnology and Experimental Therapeutics , cilt.7, sa.1, ss.1-22, 2024 (Scopus)

37. Molecular insights into the anti-inflammatory activity of fermented pineapple juice using multimodal computational studies

Tallei T. E., Fatimawali F., Adam A. A., Ekatanti D., ÇELİK İ., Fatriani R., et al.

Archiv der Pharmazie , cilt.357, sa.1, 2024 (SCI-Expanded, Scopus)

38. Attenuation of quorum sensing regulated virulence functions and biofilm of pathogenic bacteria by medicinal plant Artemisia annua and its phytoconstituent 1, 8-cineole

Khan M. A., Shahid M., ÇELİK İ., Khan H. M., Shahzad A., Husain F. M., et al.

Microscopy Research and Technique , cilt.87, sa.1, ss.133-148, 2024 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

39. Effects of algerian nettle (Urtica dioica L.) on benign prostatic hyperplasia and their mechanism of action elucidation: in vivo and in silico approaches.

Bougueroua K., Boufadi M. Y., Latreche B., Celik İ., Guerrero Gonzalez M., Doubbi Bounoua A., et al.

Natural product research , cilt.38, sa.22, ss.4017-4027, 2024 (SCI-Expanded, Scopus)

40. Computational Simulations Reveal the Synergistic Action of Phytochemicals of Morus alba to Exert Anti-Alzheimer Activity via Inhibition of Acetylcholinesterase and Glycogen Synthase Kinase-3β

Paul A., Zothantluanga J. H., Rakshit G., ÇELİK İ., Rudrapal M., Zaman M. K.

Polycyclic Aromatic Compounds , cilt.44, sa.5, ss.3476-3500, 2024 (SCI-Expanded, Scopus)

41. **Detection of natural compounds by virtual screening, molecular docking and dynamics studies and evaluation of their effects on tau level in vitro Alzheimer's model**

UZUNHİSARCIKLI E., ÇELİK İ., Yerer M. B.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS , cilt.42, sa.1, ss.384-392, 2024 (SCI-Expanded, Scopus)

42. Antibiofilm and anti-quorum sensing activity of Psidium guajava L. leaf extract: In vitro and in silico approach.

Khan M. A., Celik İ., Khan H. M., Shahid M., Shahzad A., Kumar S., et al.

PloS one , cilt.18, sa.12, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

43. Computational biology and in vitro studies for anticipating cancer-related molecular targets of sweet wormwood (Artemisia annua)

Dawood H., ÇELİK İ., Ibrahim R. S.

BMC Complementary Medicine and Therapies , cilt.23, sa.1, 2023 (SCI-Expanded, Scopus)

44. A computational simulation appraisal of banana lectin as a potential anti-SARS-CoV-2 candidate by targeting the receptor-binding domain.

Hessel S. S., Dwivany F. M., Zainuddin I. M., Wikantika K., Celik İ., Emran T. B., et al.

Journal, genetic engineering & biotechnology , cilt.21, sa.1, ss.148, 2023 (ESCI, Scopus) Sürdürülebilir Kalkınma

45. Synthesis of novel pyrazolone candidates with studying some biological activities and in-silico studies.

Abdellattif M. H., Hamed E. O., Elhoseni N. K. R., Assy M. G., Emwas A. M., Jaremko M., et al.

Scientific reports , cilt.13, sa.1, ss.19170, 2023 (SCI-Expanded, Scopus)

46. Design, synthesis, molecular docking and molecular dynamic studies of novel benzimidazole-thiazole derivatives as potent and selective COX-2 inhibitors

IRMAK N. E., SAĞLIK B. N., ÇELİK İ., Tahsin Sen H., ÖZKAY Y., KILCIGİL G.

New Journal of Chemistry , cilt.47, sa.47, ss.21620-21632, 2023 (SCI-Expanded, Scopus)

47. An integrated strategy combining UPLC-MS/MS, chemometrics, molecular docking, and molecular dynamics simulation for metabolic profiling of onion (Allium cepa L.) cultivars and unravelling potential anti-COVID-19 metabolites

Elattar M. M., Hammoda H. M., Ghareeb D. A., El-Hosseny M. F., Seadawy M. G., ÇELİK İ., et al.

South African Journal of Botany , cilt.162, ss.885-900, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

48. The depsidones from marine sponge-derived fungus Aspergillus unguis IB151 as an anti-MRSA agent: Molecular docking, pharmacokinetics analysis, and molecular dynamic simulation studies

Handayani D., Aminah I., Pontana Putra P., Eka Putra A., Arbain D., Satriawan H., et al.

Saudi Pharmaceutical Journal , cilt.31, sa.9, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

49. Epigallocatechin-3-Gallate Therapeutic Potential in Cancer: Mechanism of Action and Clinical Implications.

Kciuk M., Alam M., Ali N., Rashid S., Głowacka P., Sundaraj R., et al.

Molecules (Basel, Switzerland) , cilt.28, sa.13, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

50. Pyrazolo[4,3-e]tetrazolo[1,5-b][1,2,4]triazine Sulfonamides as an Important Scaffold for Anticancer Drug Discovery-In Vitro and In Silico Evaluation.

Kciuk M., Marciniak B., Celik İ., Zerroug E., Dubey A., Sundaraj R., et al.

International journal of molecular sciences , cilt.24, sa.13, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

51. Design, synthesis, molecular docking and biological evaluation of 1,2,4-triazole derivatives possessing a hydrazone moiety as anti-breast cancer agents

Tapera M., Kekeçmuhammed H., Tunc C. U., Kutlu A. U., ÇELİK İ., Zorlu Y., et al.

New Journal of Chemistry , cilt.47, sa.24, ss.11602-11614, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

52. Phytochemical Composition, In Vitro Antimicrobial, Antioxidant, and Enzyme Inhibition Activities, and In Silico Molecular Docking and Dynamics Simulations of Centaurea lycaonica: A Computational and Experimental Approach.

Fatullayev H., Paşayeva L., Celik İ., İnce U., Tugay O.

ACS omega , cilt.8, sa.25, ss.22854-22865, 2023 (SCI-Expanded, Scopus)

53. Forecasting of potential anti-inflammatory targets of some immunomodulatory plants and their constituents using in vitro, molecular docking and network pharmacology-based analysis.

Khairy A., Ghareeb D. A., Celik İ., Hammoda H. M., Zaatout H. H., Ibrahim R. S.

Scientific reports , cilt.13, sa.1, ss.9539, 2023 (SCI-Expanded, Scopus)

54. Exploring the structural, photophysical and optoelectronic properties of a diaryl heptanoid curcumin derivative and identification as a SARS-CoV-2 inhibitor

Archana V. P., Armaković S. J., Armaković S., Çelik İ., Bhagyasree J., Dinesh Babu K., et al.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1281, ss.1-16, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

55. New benzimidazole-oxadiazole derivatives: Synthesis, α-glucosidase, α-amylase activity, and molecular modeling studies as potential antidiabetic agents

ACAR ÇEVİK U., ÇELİK İ., PASHAYEVA L., FATULLAYEV H., BOSTANCI H. E., ÖZKAY Y., et al.

Archiv der Pharmazie , cilt.356, sa.5, 2023 (SCI-Expanded, Scopus)

56. 4’-fluorouridine as a potential COVID-19 oral drug?: a review

Abas A. H., Tallei T. E., Fatimawali F., Çelik İ., Alhumaydhi F. A., Emran T. B., et al.

F1000 RESEARCH , cilt.11, sa.410, ss.1-20, 2023 (Scopus) Sürdürülebilir Kalkınma

57. New imidazole derivatives as aromatase inhibitor: Design, synthesis, biological activity, molecular docking, and computational ADME-Tox studies

Çetiner G., Acar Çevik U., Celik İ., Bostancı H. E., Özkay Y., Kaplancıklı Z. A.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1278, ss.1-9, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

58. Beta Elemene induces cytotoxic effects in FLT3 ITD-mutated acute myeloid leukemia by modulating apoptosis.

Alafnan A., Dogan R., Bender O., Celik İ., Mollica A., Malik J. A., et al.

European review for medical and pharmacological sciences , cilt.27, sa.8, ss.3270-3287, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

59. Study of nonlinear optical responses of phytochemicals of Clitoria ternatea by quantum mechanical approach and investigation of their anti-Alzheimer activity with in silico approach

Lakhera S., Devlal K., Rana M., ÇELİK İ.

STRUCTURAL CHEMISTRY , cilt.34, sa.2, ss.439-454, 2023 (SCI-Expanded, Scopus)

60. Substances of Natural Origin in Medicine: Plants vs. Cancer.

Gielecińska A., Kciuk M., Mujwar S., Celik İ., Kołat D., Kałuzińska-Kołat Ż., et al.

Cells , cilt.12, sa.7, 2023 (SCI-Expanded, Scopus)

61. Synthesis, biological evaluation, and molecular modeling studies of new 1,3,4-thiadiazole derivatives as potent antimicrobial agents.

Acar Çevik U., Celik İ., İnce U., Maryam Z., Ahmad I., Patel H., et al.

Chemistry & biodiversity , cilt.20, sa.3, 2023 (SCI-Expanded, Scopus)

62. Design, Synthesis, In Silico and POM Studies for the Identification of the Pharmacophore Sites of Benzylidene Derivatives

Hosen M. I., Mukhrish Y. E., Jawhari A. H., ÇELİK İ., EROL M., Abdallah E. M., et al.

Molecules , cilt.28, sa.6, 2023 (SCI-Expanded, Scopus)

63. Vanillin-Based Indolin-2-one Derivative Bearing a Pyridyl Moiety as a Promising Anti-Breast Cancer Agent via Anti-Estrogenic Activity

Bender O., ÇELİK İ., Dogan R., ATALAY A., Shoman M. E., Ali T. F. S., et al.

ACS Omega , cilt.8, sa.7, ss.6968-6981, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

64. Doxorubicin—An Agent with Multiple Mechanisms of Anticancer Activity

Kciuk M., Gielecińska A., Mujwar S., Kołat D., Kałuzińska-Kołat Ż., Celik İ., et al.

CELLS , cilt.12, sa.4, ss.1-30, 2023 (SCI-Expanded, Scopus)

65. PD-1/PD-L1 and DNA Damage Response in Cancer

Kciuk M., Kołat D., Kałuzińska-Kołat Ż., Gawrysiak M., Drozda R., Çelik İ., et al.

CELLS , cilt.12, sa.4, ss.1-31, 2023 (SCI-Expanded, Scopus)

66. New2-((2-(2,4-dinitrophenyl)hydrazineeylidene) derivatives: design, synthesis, in silico, and in vitro anticancer studies.

Sajjan V. P., Anigol L. B., Gurubasavaraj P. M., Patil D., Patil P. S., Gummagol N. B., et al.

Journal of biomolecular structure & dynamics , cilt.41, sa.21, ss.11681-11699, 2023 (SCI-Expanded, Scopus)

67. Design, synthesis, molecular modeling, DFT, ADME and biological evaluation studies of some new 1,3,4-oxadiazole linked benzimidazoles as anticancer agents and aromatase inhibitors

ÇEVİK U. A., ÇELİK İ., Isik A., Ahmad I., Patel H., ÖZKAY Y., et al.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS , cilt.41, sa.5, ss.1944-1958, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

68. In Vitro and in Silico Evaluation of Some New 1H-Benzimidazoles Bearing Thiosemicarbazide and Triazole as Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor

ÇELİK İ., Ayhan-Kilcigil G., GÜVEN B., Kara Z., Onay-Besikci A.

POLYCYCLIC AROMATIC COMPOUNDS , cilt.43, sa.1, ss.444-455, 2023 (SCI-Expanded, Scopus)

69. DFT and MD investigations of the biomolecules of phenothiazine derivatives: interactions with gold and water molecules and investigations in search of effective drug for SARS-CoV-2.

Al-Otaibi J. S., Mary Y. S., Mary S., Trivedi R., Chakraborty B., Yadav R., et al.

Journal of biomolecular structure & dynamics , cilt.41, sa.10, ss.4522-4533, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

70. Synthesis, molecular docking, molecular dynamics and evaluation of Drug-Likeness properties of the fused N-Formyl pyrazoline substituted new dehydroepiandrosterone derivatives

Çapan İ., Shehu A., Sert Y., Çelik İ., Erol M., Koca İ., et al.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS , cilt.41, sa.6, ss.2492-2503, 2023 (SCI-Expanded, Scopus)

71. Identification and in-vitro analysis of potential proteasome inhibitors targeting PSMβ5 for multiple myeloma

Yadav R., Nath U. K., Celik İ., Handu S., Jain N., Dhamija P.

BIOMEDICINE AND PHARMACOTHERAPY , cilt.157, sa.113963, ss.1-11, 2023 (SCI-Expanded, Scopus)

72. Computational Investigation of the Interaction of Novel Indene Methylene Analogues with Acetylcholinesterase from Both Dynamic and Thermodynamic Perspectives

Gupta S. M., Jain N. K., Yadav R., Erol M., Celik I., Gupta M., et al.

LETTERS IN DRUG DESIGN & DISCOVERY , cilt.20, sa.12, ss.1911-1921, 2023 (SCI-Expanded, Scopus)

73. COMPREHENSIVE ANALYSIS ON COTINUS COGGYGRIA SCOP. LEAVES: PHYTOCHEMICAL CHARACTERIZATION, BIOLOGICAL PROFILE AND DOCKING STUDIES

ŞEKER KARATOPRAK G., Kiliç G., ÇELİK İ., İLGÜN S., KÖNGÜL ŞAFAK E., Koşar M.

Studia Universitatis Babes-Bolyai Chemia , cilt.2023, sa.4, ss.71-92, 2023 (SCI-Expanded, Scopus)

74. Design, docking, MD simulation and in-silco ADMET prediction studies of novel indolebased benzamides targeting estrogen receptor alfa positive for effective breast cancer therapy

Warude B. J., Wagh S. N., Chatpalliwar V. A., YILDIRIM M., ÇELİK İ., Rudrapal M., et al.

Pharmacia , cilt.70, sa.2, ss.307-316, 2023 (ESCI, Scopus) Sürdürülebilir Kalkınma

75. Resveratrol and Its Natural Analogues Inhibit RNA Dependant RNA Polymerase (RdRp) of Rhizopus oryzae in Mucormycosis through Computational Investigations

ÇELİK İ., Rudrapal M., Yadalam P. K., Chinnam S., Balaji T. M., Varadarajan S., et al.

POLYCYCLIC AROMATIC COMPOUNDS , cilt.43, sa.5, ss.4426-4443, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

76. Benzimidazole-hydrazone derivatives: Synthesis, in vitro anticancer, antimicrobial, antioxidant activities, in silico DFT and ADMET studies

IŞIK A., Acar Çevik U., ÇELİK İ., BOSTANCI H. E., Karayel A., Gündoğdu G., et al.

Journal of Molecular Structure , cilt.1270, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

77. Synthesis, Molecular Docking, Dynamics, Quantum-Chemical Computation, and Antimicrobial Activity Studies of Some New Benzimidazole-Thiadiazole Hybrids.

Çelik İ., Çevik U. A., Karayel A., Işık A., Kayış U., Gül Ü. D., et al.

ACS omega , cilt.7, sa.50, ss.47015-47030, 2022 (SCI-Expanded, Scopus)

78. Computational prediction of the effect of mutations in the receptor-binding domain on the interaction between SARS-CoV-2 and human ACE2

Celik İ., Khan A., Dwivany F. M., Wei D., Tallei T. E.

MOLECULAR DIVERSITY , cilt.26, sa.6, ss.3309-3324, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

79. Synthesis and Molecular Docking of New N-Acyl Hydrazones-Benzimidazole as hCA I and II Inhibitors

Çevik U. A., Küçükoğlu K., Nadaroglu H., Celik İ., Işık A., Bostancı H. E., et al.

MEDICINAL CHEMISTRY , cilt.19, ss.1-6, 2022 (SCI-Expanded, Scopus)

80. Evaluation of the Chemical Composition, Antioxidant and Antidiabetic Activity of Rhaponticoides iconiensis Flowers: Effects on Key Enzymes Linked to Type 2 Diabetes In Vitro, In Silico and on Alloxan-Induced Diabetic Rats In Vivo.

Paşayeva L., Fatullayev H., Celik I., Unal G., Bozkurt N. M., Tugay O., et al.

Antioxidants (Basel, Switzerland) , cilt.11, sa.11, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

81. Discovery of oxindole‐based FLT3 inhibitors as a promising therapeutic lead for acute myeloid leukemia carrying the oncogenic ITD mutation

Bender O., Shoman M. E., Ali T. F. S., Dogan R., Çelik İ., Mollica A., et al.

ARCHIV DER PHARMAZIE , cilt.2022, sa.e2200407, ss.1-20, 2022 (SCI-Expanded, Scopus)

82. Analgesic and Anti-Inflammatory Potential of Indole Derivatives

Rudrapal M., Çelik İ., Chinnam S., Çevik U. A., Tallei T. E., Nizam A., et al.

POLYCYCLIC AROMATIC COMPOUNDS , cilt.0, sa.0, ss.1-22, 2022 (SCI-Expanded, Scopus)

83. Synthesis, characterization, molecular docking, dynamics simulations, and in silico absorption, distribution, metabolism, and excretion (ADME) studies of new thiazolylhydrazone derivatives as butyrylcholinesterase inhibitors

Isik A., ÇEVİK U. A., ÇELİK İ., Ercetin T., KOÇAK A., ÖZKAY Y., et al.

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION C-A JOURNAL OF BIOSCIENCES , cilt.77, sa.11, ss.447-457, 2022 (SCI-Expanded, Scopus)

84. Quantum mechanical, virtual screening, molecular docking, molecular dynamics, ADME and antimicrobial activity studies of some new indole-hydrazone derivatives as potent agents against E. faecalis

EROL M., ÇELİK İ., İNCE U., FATULLAYEV H., UZUNHİSARCIKLI E., PÜSKÜLLÜ M. O.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS , cilt.40, sa.17, ss.8112-8126, 2022 (SCI-Expanded, Scopus)

85. Discovery of potential natural dihydroorotate dehydrogenase inhibitors and their synergism with brequinar via integrated molecular docking, dynamic simulations and in vitro approach

Khairy A., Hammoda H. M., Celik İ., Zaatout H. H., Ibrahim R. S.

SCIENTIFIC REPORTS , cilt.12, sa.19037, ss.1-30, 2022 (SCI-Expanded, Scopus)

86. Synthesis and investigations of reactive properties, photophysical properties and biological activities of a pyrazole-triazole hybrid molecule

Karrouchi K., ÇELİK İ., Fettach S., Karthick T., Bougrin K., Radi S., et al.

Journal of Molecular Structure , cilt.1265, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

87. Synthesis, molecular modeling, 3D-QSAR and biological evaluation studies of new benzimidazole derivatives as potential MAO-A and MAO-B inhibitors

EROL M., ÇELİK İ., Saglik B. N., Karayel A., Mellado M., Mella J.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1265, 2022 (SCI-Expanded, Scopus)

88. Design, synthesis and molecular docking studies of novel benzimidazole-1,3,4-oxadiazole hybrids for their carbonic anhydrase inhibitory and antioxidant effects

Kucukoglu K., Cevik U. A., NADAROĞLU H., ÇELİK İ., Isik A., BOSTANCI H. E., et al.

MEDICINAL CHEMISTRY RESEARCH , cilt.31, sa.10, ss.1771-1782, 2022 (SCI-Expanded, Scopus)

89. Virtual Screening, Molecular Docking, Molecular Dynamics and ADMET Studies on the OTU Protease of Crimean-Congo Hemorrhagic Fever Virus

Yildirim M., Çelik İ.

ChemistrySelect , cilt.7, sa.35, 2022 (SCI-Expanded, Scopus)

90. Synthesis, and docking studies of novel tetrazole-S-alkyl derivatives as antimicrobial agents

Acar Çevik U., Çelik İ., Işık A., Gül Ü. D., Bayazıt G., Bostancı H. E., et al.

PHOSPHORUS, SULFUR AND SILICON AND THE RELATED ELEMENTS , cilt.0, sa.0, ss.1-8, 2022 (SCI-Expanded, Scopus)

91. SARS-CoV-2 Infection may be Prevented with Cytochrome Inhibitors: Cobicistat and Ritonavir

Çelik İ., Gülten E., Beşikci A., Çınar G., Akdemir Kalkan İ., Kılcıgil G., et al.

Infectious diseases and clinical microbiology (Online) , cilt.2022, sa.4, ss.185-191, 2022 (ESCI, TRDizin) Sürdürülebilir Kalkınma

92. Anti-quorum sensing, antibiofilm, and antibacterial activities of extracts of Centella asiatica L. leaves, and in vitro derived leaves-calli through tissue culture: a potential for biofouling-prevention

Khan M. A., Khan H. M., Ganie I. B., Kumar S., Shahzad A., Celik İ., et al.

BIOFOULING , cilt.38, sa.7, ss.715-728, 2022 (SCI-Expanded, Scopus)

93. Design, Synthesis, in Vitro and in Silico Studies of Benzimidazole-Linked Oxadiazole Derivatives as Anti-inflammatory Agents

ÇELİK İ., YILMAZ SARIALTIN S., ÇOBAN T., KILCIGİL G.

CHEMISTRYSELECT , cilt.7, sa.28, 2022 (SCI-Expanded, Scopus)

94. Novel Benzimidazole-Based Compounds as Antimicrobials: Synthesis, Molecular Docking, Molecular Dynamics and in silico ADME Profile Studies

YEŞİLÇAYIR E., ÇELİK İ., Şen H. T., Gürpınar S. S., ERYILMAZ M., Kilcigil G.

Acta chimica Slovenica , cilt.69, sa.2, ss.419-429, 2022 (SCI-Expanded, Scopus)

95. An Insight Based on Computational Analysis of the Interaction between the Receptor-Binding Domain of the Omicron Variants and Human Angiotensin-Converting Enzyme 2.

Çelik İ., Abdellattif M. H., Tallei T. E.

Biology , cilt.11, sa.5, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

96. Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies.

Rudrapal M., Celik İ., Chinnam S., Azam Ansari M., Khan J., Alghamdi S., et al.

Saudi journal of biological sciences , cilt.29, sa.5, ss.3456-3465, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

97. Design, Synthesis, and Molecular Modeling Studies of a Novel Benzimidazole as an Aromatase Inhibitor

Çevik U. A., Celik İ., Mella J., Mellado M., Özkay Y., Kaplancıklı Z. A.

ACS OMEGA , cilt.7, sa.18, ss.16152-16163, 2022 (SCI-Expanded, Scopus)

98. Phytochemical profile, antioxidant, antiproliferative, and enzyme inhibition-docking analyses of Salvia ekimiana Celep & Dogan

Karatoprak G., Goger F., Çelik İ., Budak Ü., Akkol E. K., Aschner M.

SOUTH AFRICAN JOURNAL OF BOTANY , cilt.146, ss.36-47, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

99. 4'-fluorouridine and its derivatives as potential COVID-19 oral drugs: a review

Abas A. H., Tallei T. E., Fatimawali F., ÇELİK İ., Alhumaydhi F. A., Emran T. B., et al.

F1000Research , cilt.11, 2022 (Scopus) Sürdürülebilir Kalkınma

100. A computational comparative analysis of the binding mechanism of molnupiravir's active metabolite to RNA-dependent RNA polymerase of wild-type and Delta subvariant AY.4 of SARS-CoV-2

ÇELİK İ., Tallei T. E.

JOURNAL OF CELLULAR BIOCHEMISTRY , cilt.123, sa.4, ss.807-818, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

101. In VitroandIn SilicoStudies of Quinoline-2-Carbaldehyde Hydrazone Derivatives as Potent Antimicrobial Agents

ÇELİK İ., EROL M., PÜSKÜLLÜ M. O., UZUNHİSARCIKLI E., İNCE U., Kuyucuklu G., et al.

POLYCYCLIC AROMATIC COMPOUNDS , cilt.42, sa.4, ss.1942-1958, 2022 (SCI-Expanded, Scopus)

102. Identification of bioactive molecules from Triphala (Ayurvedic herbal formulation) as potential inhibitors of SARS-CoV-2 main protease (Mpro) through computational investigations

Rudrapal M., ÇELİK İ., Khan J., Ansari M. A., Alomary M. N., Yadav R., et al.

Journal of King Saud University - Science , cilt.34, sa.3, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

103. Synthesis, Molecular Docking, and DFT Studies of Some New 2,5-Disubstituted Benzoxazoles as Potential Antimicrobial and Cytotoxic Agents

EROL M., ÇELİK İ., UZUNHİSARCIKLI E., Kuyucuklu G.

POLYCYCLIC AROMATIC COMPOUNDS , cilt.42, sa.4, ss.1679-1696, 2022 (SCI-Expanded, Scopus)

104. Synthesis, molecular modeling, quantum mechanical calculations and ADME estimation studies of benzimidazole-oxadiazole derivatives as potent antifungal agents

Çevik U. A., ÇELİK İ., Işık A., Pillai R. R., Tallei T. E., Yadav R., et al.

Journal of Molecular Structure , cilt.1252, 2022 (SCI-Expanded, Scopus)

105. Synthesis and molecular modelling of thiadizole based hydrazone derivatives as acetylcholinesterase and butyrylcholinesterase inhibitory activities.

Işık A., Acar Çevik U., Karayel A., Celik İ., Erçetin T., Koçak A., et al.

SAR and QSAR in environmental research , cilt.33, ss.193-214, 2022 (SCI-Expanded, Scopus)

106. Coumarin-Resveratrol-Inspired Hybrids as Monoamine Oxidase B Inhibitors: 3-Phenylcoumarin versus trans-6-Styrylcoumarin

Mellado M., González C., Mella J., Aguilar L. F., ÇELİK İ., Borges F., et al.

Molecules , cilt.27, sa.3, 2022 (SCI-Expanded, Scopus)

107. Evaluation of Activity of Some 2,5-Disubstituted Benzoxazole Derivatives against Acetylcholinesterase, Butyrylcholinesterase and Tyrosinase: ADME Prediction, DFT and Comparative Molecular Docking Studies

ÇELİK İ., EROL M., Temiz Arpaci O., ŞENOL DENİZ F. S., ERDOĞAN ORHAN İ.

POLYCYCLIC AROMATIC COMPOUNDS , cilt.42, sa.2, ss.412-423, 2022 (SCI-Expanded, Scopus)

108. Synthesis, molecular docking, in silico ADME, and EGFR kinase inhibitor activity studies of some new benzimidazole derivatives bearing thiosemicarbazide, triazole, and thiadiazole

ÇELİK İ., Ayhan-Kilcigil G., Karayel A., GÜVEN B., Onay-Besikci A.

JOURNAL OF HETEROCYCLIC CHEMISTRY , cilt.59, sa.2, ss.371-387, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

109. In silico evaluation of potential inhibitory activity of remdesivir, favipiravir, ribavirin and galidesivir active forms on SARS-CoV-2 RNA polymerase

ÇELİK İ., EROL M., Duzgun Z.

MOLECULAR DIVERSITY , cilt.26, sa.1, ss.279-292, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

110. Design, Synthesis, Molecular Docking, Molecular Dynamics and In Vivo Antimalarial Activity of New Dipeptide-Sulfonamides

Ezugwu J. A., Okoro U. C., Ezeokonkwo M. A., Hariprasad K. S., Rudrapal M., Ugwu D., et al.

CHEMISTRYSELECT , cilt.7, sa.5, 2022 (SCI-Expanded, Scopus)

111. VIRTUAL SCREENING AND MOLECULAR DOCKING ANALYSIS ON THREE SARS-COV-2 DRUG TARGETS BY MULTIPLE COMPUTATIONAL APPROACH ÇOKLU HESAPLAMALI YAKLAŞIMLA ÜÇ SARS-COV-2 İLAÇ HEDEFLERİ ÜZERİNDE SANAL TARAMA VE MOLEKÜLER DOKİNG ANALİZİ

ÇELİK İ., EROL M., UZUNHİSARCIKLI E., İNCE U.

Ankara Universitesi Eczacilik Fakultesi Dergisi , cilt.46, sa.2, ss.376-392, 2022 (Scopus, TRDizin) Sürdürülebilir Kalkınma

112. Design of benzimidazoles, benzoxazoles, benzothiazoles and thiazolopyridines as leukotriene A4 hydrolase inhibitors through 3D-QSAR, docking and molecular dynamics

Lorca M., Faúndez M., Pessoa-Mahana D., Recabarren-Gajardo G., Diethelm-Varela B., Millán D., et al.

JOURNAL OF THE SERBIAN CHEMICAL SOCIETY , cilt.88, sa.00, ss.25-39, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

113. **A comprehensive exploration of pharmacological properties, bioactivities and inhibitory potentiality of luteolin from Tridax procumbens as anticancer drug by in-silico approach.**

Lakhera S., Rana M., Devlal K., ÇELİK İ., Yadav R.

Structural chemistry , cilt.33, sa.3, ss.703-719, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

114. Fruit Bromelain-Derived Peptide Potentially Restrains the Attachment of SARS-CoV-2 Variants to hACE2: A Pharmacoinformatics Approach

Tallei T. E., Fatimawali F., Adam A. A., Elseehy M. M., El-Shehawi A. M., Mahmoud E. A., et al.

Molecules , cilt.27, sa.1, 2022 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

115. Investigation of reactive properties, adsorption on fullerene, DFT, molecular dynamics simulation of an anthracene derivative targeting dihydrofolate reductase and human dUTPase

Mary Y. S., Mary Y. S., Armakovic S., Armakovic S. J., Yadav R., ÇELİK İ., et al.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS , cilt.40, sa.21, ss.10952-10961, 2022 (SCI-Expanded, Scopus)

116. Integrated in silico - in vitro strategy for the discovery of potential xanthine oxidase inhibitors from Egyptian propolis and their synergistic effect with allopurinol and febuxostat

Ghallab D. S., Shawky E., Metwally A. M., ÇELİK İ., Ibrahim R. S., Mohyeldin M. M.

RSC ADVANCES , cilt.12, sa.5, ss.2843-2872, 2022 (SCI-Expanded, Scopus)

117. Synthesis, quantum mechanical calculations, antimicrobial activities and molecular docking studies of five novel 2,5-disubstituted benzoxazole derivatives

Temiz-Arpaci O., Zeyrek C. T., Arisoy M., EROL M., Celik I., Kaynak-Onurdag F.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1245, 2021 (SCI-Expanded, Scopus)

118. Appraisal of bioactive compounds of betel fruit as antimalarial agents by targeting plasmepsin 1 and 2: A computational approach

Fatimawali F., Tallei T. E., Kepel B. J., Alorabi M., El-Shehawi A. M., Bodhi W., et al.

Pharmaceuticals , cilt.14, sa.12, 2021 (SCI-Expanded, Scopus)

119. Antidiabetic bioactive compounds from Tetrastigma angustifolia (Roxb.) Deb and Oxalis debilis Kunth.: Validation of ethnomedicinal claim by in vitro and in silico studies

Junejo J. A., Zaman K., Rudrapal M., ÇELİK İ., Attah E. I.

SOUTH AFRICAN JOURNAL OF BOTANY , cilt.143, ss.164-175, 2021 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

120. Synthesis, molecular docking, in silico ADME and antimicrobial activity studies of some new benzimidazole-triazole derivatives

Evren A. E., Çelik İ., Çevik U. A.

Cumhuriyet Science Journal , cilt.42, sa.4, ss.795-805, 2021 (TRDizin)

121. Synthesis, NMR, X-ray crystallography and DFT studies of some regioisomers possessing imidazole heterocycles

PÜSKÜLLÜ M. O., Doganc F., Ozden S., ŞAHİN E., ÇELİK İ., Goker H.

Journal of Molecular Structure , cilt.1243, 2021 (SCI-Expanded, Scopus)

122. In silico and in vitro evaluation of the antimicrobial potential of bacillus cereus isolated from apis dorsata gut against neisseria gonorrhoeae

Niode N. J., Adji A., Rimbing J., Tulung M., Alorabi M., El-Shehawi A. M., et al.

Antibiotics , cilt.10, sa.11, 2021 (SCI-Expanded, Scopus)

123. Molecular docking, DFT analysis, and dynamics simulation of natural bioactive compounds targeting ACE2 and TMPRSS2 dual binding sites of spike protein of SARS CoV-2

Yadav R., Hasan S., Mahato S., ÇELİK İ., Mary Y., Kumar A., et al.

Journal of Molecular Liquids , cilt.342, 2021 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

124. Bazı Yeni 2,5-Disübstitüe Benzoksazol Türevlerinin Sentezi, Antimikrobiyal Aktivite, Moleküler Doking ve DFT Çalışmaları

Erol M., Çelik İ., Kuyucuklu G.

Avrupa Bilim ve Teknoloji Dergisi , sa.27, ss.605-614, 2021 (Hakemli Dergi)

125. Molecular docking and dynamics simulations study of selected phytoconstituents of “pangi” (Pangium edule reinw) leaf as anti-sars-cov-2

Sailah I., Tumilaar S. G., Lombogia L. T., ÇELİK İ., Tallei T. E.

Philippine Journal of Science , cilt.150, sa.5, ss.925-937, 2021 (Scopus) Sürdürülebilir Kalkınma

126. Approach to the mechanism of action of hydroxychloroquine on SARS-CoV-2: a molecular docking study

Celik K., Onay-Besikci A., Ayhan-Kilcigil G.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS , cilt.39, sa.15, ss.5792-5798, 2021 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

127. In Silico Evaluation of Iranian Medicinal Plant Phytoconstituents as Inhibitors against Main Protease and the Receptor-Binding Domain of SARS-CoV-2

Mousavi S. S., Karami A., Haghighi T. M., Tumilaar S. G., Fatimawali F., Idroes R., et al.

MOLECULES , cilt.26, sa.18, 2021 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

128. Interactions of the receptor binding domain of sars-cov-2 variants with hace2: Insights from molecular docking analysis and molecular dynamic simulation

ÇELİK İ., Yadav R., Duzgun Z., Albogami S., El-Shehawi A. M., Fatimawali F., et al.

Biology , cilt.10, sa.9, 2021 (SCI-Expanded, Scopus)

129. An Analysis Based on Molecular Docking and Molecular Dynamics Simulation Study of Bromelain as Anti-SARS-CoV-2 Variants

Tallei T. E., Fatimawali F., Yelnetty A., Idroes R., Kusumawaty D., Emran T. B., et al.

Frontiers in Pharmacology , cilt.12, 2021 (SCI-Expanded, Scopus)

130. DFT, docking, MD simulation, and vibrational spectra with SERS analysis of a benzoxazole derivative: an anti-cancerous drug

Sheena Mary Y., Shyma Mary Y., Temiz-Arpaci O., Yadav R., ÇELİK İ.

CHEMICAL PAPERS , cilt.75, sa.8, ss.4269-4284, 2021 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

131. 2-(p-Florofenil)-5-(2-(4-asetilpiperazin-1-il)asetamido)benzoksazol’ün Sentezi, Moleküler Doking, DFT ve Antimikrobiyal Aktivite Çalışmaları

Erol M., Çelik İ., Kuyucuklu G.

Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi , cilt.11, sa.3, ss.2122-2132, 2021 (TRDizin)

132. Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations

Mary Y. S., Mary Y. S., Armaković S., Armaković S. J., Yadav R., ÇELİK İ., et al.

Journal of Molecular Liquids , cilt.335, 2021 (SCI-Expanded, Scopus)

133. Molecular modeling, density functional theory, ADME prediction and antimicrobial activity studies of 2-(substituted)oxazolo[4,5-b]pyridine derivatives

ÇELİK İ., EROL M., Kuyucuklu G.

NEW JOURNAL OF CHEMISTRY , cilt.45, sa.25, ss.11108-11118, 2021 (SCI-Expanded, Scopus)

134. MD, DFT Investigations and Inhibition of the Novel SARS- CoV-2 Mainprotease in Three Cocrystals of Hydrochloro- thiazide

Mary Y. S., Mary Y. S., Yadav R., Çelik İ., Rad A. S.

Analytical Chemistry Letters , cilt.11, sa.4, ss.450-468, 2021 (Hakemli Dergi) Sürdürülebilir Kalkınma

135. Synthesis, Molecular Docking, Molecular Dynamics, DFT and Antimicrobial Activity Studies of 5-substituted-2-(p-methylphenyl)benzoxazole Derivatives

EROL M., ÇELİK İ., Kuyucuklu G.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1234, 2021 (SCI-Expanded, Scopus)

136. Bioactive antidiabetic flavonoids from the stem bark of cordia dichotoma forst.: Identification, docking and ADMET studies

Hussain N., Kakoti B. B., Rudrapal M., Sarwa K. K., ÇELİK İ., Attah E. I., et al.

MolBank , cilt.2021, sa.2, 2021 (ESCI, Scopus)

137. Design, synthesis, molecular docking, density functional theory and antimicrobial studies of some novel benzoxazole derivatives as structural bioisosteres of nucleotides

EROL M., ÇELİK İ., Temiz-Arpaci O., Kaynak-Onurdag F., Okten S.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS , cilt.39, sa.9, ss.3080-3091, 2021 (SCI-Expanded, Scopus)

138. Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives-wavefunction-dependent properties, molecular docking, and dynamics simulation studies.

Mary Y. S., Mary Y. S., Resmi K. S., Sarala S., Yadav R., Celik İ.

Journal of molecular modeling , cilt.27, ss.186, 2021 (SCI-Expanded, Scopus)

139. Synthesis, in vitro antiprotozoal activity, molecular docking and molecular dynamics studies of some new monocationic guanidinobenzimidazoles.

Doganc F., Celik İ., Eren G., Kaiser M., Brun R., Goker H.

European journal of medicinal chemistry , cilt.221, ss.113545, 2021 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

140. Theoretical investigation on the reactive and interaction properties of sorafenib – DFT, AIM, spectroscopic and Hirshfeld analysis, docking and dynamics simulation

Mary Y. S., Mary Y. S., Rad A. S., Yadav R., ÇELİK İ., Sarala S.

Journal of Molecular Liquids , cilt.330, 2021 (SCI-Expanded, Scopus)

141. Investigation of reactive properties of an antiviral azatricyclo derivative–KDFT, MD and docking simulations

Mary Y. S., Mary Y. S., Armaković S., Armaković S. J., Pakosinska-Parys M., Yadav R., et al.

Journal of Molecular Structure , cilt.1230, 2021 (SCI-Expanded, Scopus)

142. Synthesis, antimicrobial and in silico studies of new 2,5-disubstituted benzoxazole derivative

Erol M., Çelik İ., Kuyucuklu G.

Medicine Science , cilt.10, sa.2, ss.400-408, 2021 (TRDizin)

143. A Comprehensive Review of the Potential Use of Green Tea Polyphenols in the Management of COVID-19

Tallei T. E., Fatimawali F., Niode N. J., Idroes R., Zidan B. M. R. M., Mitra S., et al.

Evidence-based Complementary and Alternative Medicine , cilt.2021, 2021 (SCI-Expanded, Scopus)

144. Synthesis, Antimicrobial and Cytotoxic Activity Studies of Some New Benzoxazole Derivatives

Erol M., Çelik İ., Kuyucuklu G., Uzunhisarcıklı E.

Avrupa Bilim ve Teknoloji Dergisi , cilt.21, ss.455-462, 2021 (TRDizin)

145. 1H-Benzimidazole-5-carboxamidine derivatives: design, synthesis, molecular docking, DFT and antimicrobial studies

EROL M., ÇELİK İ., Temiz-Arpaci O., Goker H., Kaynak-Onurdag F., Okten S.

NEW JOURNAL OF CHEMISTRY , cilt.44, sa.48, ss.21309-21317, 2020 (SCI-Expanded, Scopus)

146. Synthesis, molecular docking and ADME prediction of some new benzimidazole carboxamidines derivatives as antimicrobial agents

EROL M., ÇELİK İ., Temiz-Arpaci O., Goker H., Kaynak-Onurdag F., Okten S.

MEDICINAL CHEMISTRY RESEARCH , cilt.29, sa.11, ss.2028-2038, 2020 (SCI-Expanded, Scopus)

147. Antimicrobial and antiproliferative activity studies of some new quinoline-3-carbaldehyde hydrazone derivatives

PÜSKÜLLÜ M. O., ÇELİK İ., EROL M., FATULLAYEV H., UZUNHİSARCIKLI E., Kuyucuklu G.

Bioorganic Chemistry , cilt.101, 2020 (SCI-Expanded, Scopus)

148. Design, synthesis and docking studies of benzimidazole derivatives as potential EGFR inhibitors

Celik İ., Ayhan-Kılcıgil G., Guven B., Kara Z., Gurkan-Alp A. S., Karayel A., et al.

European Journal of Medicinal Chemistry , cilt.173, ss.240-249, 2019 (SCI-Expanded, Scopus)

Hakemli Bilimsel Toplantılarda Yayımlanmış Bildiriler 12

1. SARS-CoV-2’NİN OMİKRON VE DELTA VARYANTLARININ BULAŞ HIZININ BİLGİSAYAR SİMÜLAYONLARI İLE ANALİZİ

ÇELİK İ.

4. INTERNATIONAL SCIENCES AND INNOVATION CONGRESS, Ankara, Türkiye, 19 Şubat 2022, (Özet Bildiri)

2. MOLNUPİRAVİR AKTİF METABOLİTİNİN SARS-CoV2'NİN RNA'YA BAĞIMLI RNA POLİMERAZINA KARŞI POTANSİYEL İNHİBİTÖR AKTİVİTESİNİN İN SİLİKO DEĞERLENDİRİLMESİ

ÇELİK İ.

Gevher Nesibe 8. Uluslararası Sağlık Bilimleri Kongresi, İstanbul, Türkiye, 19 Kasım 2021, (Özet Bildiri)

3. SYNTHESIS, MOLECULAR DOCKING AND EGFR KINASE INHIBITORY ACTIVITY STUDIES OF BENZIMIDAZOLE DERIVATIVES BEARING PROPYL-LINKED TO OXADIAZOLE RING

ÇELİK İ., KILCIGİL G., KARA Z., GÜVEN B., BEŞİKCİ A.

EFMC-YMCS 2019 6th EFMC Young Medicinal Chemists' Symposium, Atina, Yunanistan, 05 Eylül 2019, (Özet Bildiri)

4. SYNTHESIS OF SOME CYCLOHEXYL SUBSTITUTED OXADIAZOLE DERIVATIVES LINKED 1H-BENZIMIDAZOLE

Çelik I., Kılcıgil G.

International Symposium on Pharmaceutical Sciences (ISOPS-12), Ankara, Türkiye, 26 Haziran 2018 - 29 Mayıs 2019, ss.384-385, (Tam Metin Bildiri)

5. Molecular Docking Studies of Some Novel Benzimidazole Derivatives as EGFR Inhibitors

Alp A. S., Çelik I., Kılcıgil G.

International Symposium on Pharmaceutical Sciences (ISOPS-12), Ankara, Türkiye, 26 Haziran 2018 - 29 Mayıs 2019, ss.400, (Tam Metin Bildiri)

6. SYNTHESIS OF SOME 1H-BENZIMIDAZOLE COMPOUNDS BEARING BIS-THIOSEMICARBAZIDE AND TRIAZOLE DERIVATIVES AS INHIBITORS OF EGFR TYROSINE KINASE

Çelik I., Kılcıgil G., Güven B., Kara Z., Beşikci A.

International Symposium on Pharmaceutical Sciences (ISOPS-12), Ankara, Türkiye, 26 - 29 Haziran 2018, ss.384, (Tam Metin Bildiri)

7. SYNTHESIS OF SOME 1H-BENZIMIDAZOLES CONTAINING CYCLOHEXYL SUBSTITUTED THIOSEMICARBAZIDES, TRIAZOLES, THIADIAZOLES AS INHIBITORS OF EGFR TYROSINE KINASE

ÇELİK İ., KILCIGİL G., Kara Z., GÜVEN B., BEŞİKCİ A.

GPSS2017, 11 - 13 Ekim 2017, (Özet Bildiri)

Kitaplar 2

1. In silico studies on established antivirals on SARS-CoV-2 RNA-dependent RNA polymerase

Çelik İ., Erol M., Tallei T. E.

Elsevier Science, Oxford/Amsterdam , Missouri, 2024 Sürdürülebilir Kalkınma

2. TARGETING EGFR L858R1T790M AND EGFR L858R1T790M/C797S RESISTANCE MUTATIONS IN NON-SMALL CELL LUNG CANCER: CURRENT APPROACHES IN MEDICINAL CHEMISTRY

Çelik İ., Kılcıgil G.

Eczacılıkta Yenilikler-3, Gülbin Özçelikay,İlkay Yıldız, Editör, Ankara Üniversitesi, Ankara, ss.249-264, 2020 Sürdürülebilir Kalkınma

Metrikler

Yayın

164

Yayın (WoS)

136

Yayın (Scopus)

141

Atıf (WoS)

1426

H-İndeks (WoS)

Atıf (Scopus)

2603

H-İndeks (Scopus)

Atıf (Scholar)

3078

H-İndeks (Scholar)

Atıf (TrDizin)

H-İndeks (TrDizin)

Atıf (Sobiad)

319

H-İndeks (Sobiad)

Atıf (Diğer Toplam)

Proje

Açık Erişim

BM Sürdürülebilir Kalkınma Amaçları

Yayınlar & Eserler