Doç. Dr. İSMAİL ÇELİK

Yayın Ağı

SCI, SSCI ve AHCI İndekslerine Giren Dergilerde Yayınlanan Makaleler

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)

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)

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)

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)

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, ss.1-12, 2024 (SCI-Expanded)

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, ss.124818, 2024 (SCI-Expanded)

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)

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)

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)

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)

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)

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)

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)

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 , sa.11, ss.13359-13372, 2024 (SCI-Expanded)

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)

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)

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)

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)

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)

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)

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)

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)

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, ss.123719, 2023 (SCI-Expanded) Sürdürülebilir Kalkınma

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)

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 , ss.1-12, 2023 (SCI-Expanded)

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)

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)

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) Sürdürülebilir Kalkınma

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) Sürdürülebilir Kalkınma

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)

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)

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) Sürdürülebilir Kalkınma

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)

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)

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) Sürdürülebilir Kalkınma

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)

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) Sürdürülebilir Kalkınma

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)

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) Sürdürülebilir Kalkınma

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)

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)

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)

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) Sürdürülebilir Kalkınma

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)

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)

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) Sürdürülebilir Kalkınma

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)

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)

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) Sürdürülebilir Kalkınma

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)

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)

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)

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)

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) Sürdürülebilir Kalkınma

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) Sürdürülebilir Kalkınma

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)

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) Sürdürülebilir Kalkınma

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)

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) Sürdürülebilir Kalkınma

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)

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)

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)

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)

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)

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) Sürdürülebilir Kalkınma

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)

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)

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)

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)

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)

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)

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)

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) Sürdürülebilir Kalkınma

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) Sürdürülebilir Kalkınma

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.

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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

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

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

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

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

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

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)

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)

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

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

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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) Sürdürülebilir Kalkınma

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

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

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)

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)

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) Sürdürülebilir Kalkınma

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)

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) Sürdürülebilir Kalkınma

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)

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) Sürdürülebilir Kalkınma

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)

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)

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) Sürdürülebilir Kalkınma

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

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

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) Sürdürülebilir Kalkınma

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)

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) Sürdürülebilir Kalkınma

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)

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) Sürdürülebilir Kalkınma

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)

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)

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) Sürdürülebilir Kalkınma

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)

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)

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)

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)

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) Sürdürülebilir Kalkınma

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)

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)

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)

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)

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)

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)

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)

Diğer Dergilerde Yayınlanan Makaleler

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)

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)

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

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) Sürdürülebilir Kalkınma

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) Sürdürülebilir Kalkınma

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

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) Sürdürülebilir Kalkınma

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 (Hakemli Dergi)

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)

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

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

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

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

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

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

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Kitap & Kitap Bölümleri

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

Metrikler

Yayın

147

Atıf (WoS)

1425

H-İndeks (WoS)

Atıf (Scopus)

1694

H-İndeks (Scopus)

Atıf (Scholar)

H-İndeks (Scholar)

Atıf (TrDizin)

H-İndeks (TrDizin)

Proje

Açık Erişim

BM Sürdürülebilir Kalkınma Amaçları

Yayınlar & Eserler

SCI, SSCI ve AHCI İndekslerine Giren Dergilerde Yayınlanan Makaleler

Diğer Dergilerde Yayınlanan Makaleler

Hakemli Kongre / Sempozyum Bildiri Kitaplarında Yer Alan Yayınlar

Kitap & Kitap Bölümleri