Computer-Aided Drug Design and Synthesis Research Group

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)

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)

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)

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)

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)

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)

Novel triazoloquinazoline derivatives as VEGFR inhibitors: synthesis, cytotoxic evaluation and <i>in silico</i> 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)

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)

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)

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

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)

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)

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)

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)

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