Synthesis, biological activity and multiscale molecular modeling studies of bis-coumarins as selective carbonic anhydrase IX and XII inhibitors with effective cytotoxicity … BZ Kurt, A Dag, B Doğan, S Durdagi, A Angeli, A Nocentini, CT Supuran, ... Bioorganic Chemistry 87, 838-850, 2019 | 61 | 2019 |
Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing S Durdagi, Ç Dağ, B Dogan, M Yigin, T Avsar, C Buyukdag, I Erol, ... Structure 29 (12), 1382-1396. e6, 2021 | 33 | 2021 |
Integrating Ligand and Target-Driven Based Virtual Screening Approaches With in vitro Human Cell Line Models and Time-Resolved Fluorescence Resonance … G Tutumlu, B Dogan, T Avsar, MD Orhan, S Calis, S Durdagi Frontiers in Chemistry 8, 167, 2020 | 32 | 2020 |
Synthesis, molecular docking and molecular dynamics studies of novel tacrine-carbamate derivatives as potent cholinesterase inhibitors O Ozten, BZ Kurt, F Sonmez, B Dogan, S Durdagi Bioorganic Chemistry 115, 105225, 2021 | 30 | 2021 |
Formation of the inclusion complex of water soluble fluorescent calix [4] arene and naringenin: solubility, cytotoxic effect and molecular modeling studies M Oguz, AA Bhatti, B Dogan, S Karakurt, S Durdagi, M Yilmaz Journal of Biomolecular Structure and Dynamics 38 (13), 3801-3813, 2020 | 24 | 2020 |
Free radical polymerization of ethyl methacrylate and ethyl α-hydroxy methacrylate: A computational approach to the propagation kinetics B Dogan, S Catak, V Van Speybroeck, M Waroquier, V Aviyente Polymer 53 (15), 3211-3219, 2012 | 24 | 2012 |
Screening of clinically approved and investigation drugs as potential inhibitors of COVID-19 main protease: a virtual drug repurposing study S Durdagi, B Aksoydan, B Dogan, K Sahin, A Shahraki | 23 | 2020 |
Screening of clinically approved and investigation drugs as potential inhibitors of SARS-CoV-2 main protease and spike receptor-binding domain bound with ACE2 COVID19 target … S Durdagi, B Aksoydan, B Dogan, K Sahin, A Shahraki, N Birgül-İyison | 18 | 2020 |
Current status of multiscale simulations on GPCRs S Durdagi, B Dogan, İ Erol, G Kayık, B Aksoydan Current Opinion in Structural Biology 55, 93-103, 2019 | 17 | 2019 |
A novel BH3 mimetic Bcl-2 inhibitor promotes autophagic cell death and reduces in vivo Glioblastoma tumor growth S Calis, B Dogan, S Durdagi, A Celebi, O Yapicier, T Kilic, ET Turanli, ... Cell Death Discovery 8 (1), 433, 2022 | 16 | 2022 |
Design and synthesis of novel caffeic acid phenethyl ester (CAPE) derivatives and their biological activity studies in glioblastoma multiforme (GBM) cancer cell lines BO Sucu, EB Koc, OS Ipek, A Mirat, F Almas, MA Guzel, B Dogan, ... Journal of Molecular Graphics and Modelling 113, 108160, 2022 | 14 | 2022 |
An integrated in silico approach and in vitro study for the discovery of small‐molecule USP7 inhibitors as potential cancer therapies D Kanan, T Kanan, B Dogan, MD Orhan, T Avsar, S Durdagi ChemMedChem 16 (3), 555-567, 2021 | 11 | 2021 |
Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS‐CoV‐2: A Combined in silico and in vitro Study S Durdagi, MD Orhan, B Aksoydan, S Calis, B Dogan, K Sahin, ... Molecular Informatics 41 (2), 2100062, 2022 | 10 | 2022 |
Prediction of HIV-1 protease resistance using genotypic, phenotypic, and molecular information with artificial neural networks H Tunc, B Dogan, BND Kiraz, M Sari, S Durdagi, S Kotil PeerJ 11, e14987, 2023 | 8 | 2023 |
Structural and Functional Characterization of Allatostatin Receptor Type-C of Thaumetopoea pityocampa, a Potential Target for Next-Generation Pest Control Agents A Shahraki, A Isbilir, B Dogan, MJ Lohse, S Durdagi, N Birgul-Iyison Journal of Chemical Information and Modeling 61 (2), 715-728, 2021 | 8 | 2021 |
In silico dissolution rates of pharmaceutical ingredients B Dogan, J Schneider, K Reuter Chemical Physics Letters 662, 52-55, 2016 | 8 | 2016 |
Drug Re‐positioning Studies for Novel HIV‐1 Inhibitors Using Binary QSAR Models and Multi‐target‐driven In Silico Studies B Dogan, S Durdagi Molecular Informatics 40 (2), 2000012, 2021 | 7 | 2021 |
Investigation of supramolecular interaction of quercetin with N, N-dimethylamine-functionalized p-sulfonated calix [4, 8] arenes using molecular modeling and their in vitro … M Oguz, B Dogan, S Durdagi, AA Bhatti, S Karakurt, M Yilmaz New Journal of Chemistry 45 (39), 18443-18452, 2021 | 5 | 2021 |
Near-physiological-temperature serial femtosecond X-ray crystallography reveals novel conformations of SARS-CoV-2 main protease active site for improved drug repurposing S Durdagi, C Dag, B Dogan, M Yigin, T Avsar, C Buyukdag, I Erol, B Ertem, ... bioRxiv, 2020.09. 09.287987, 2020 | 4 | 2020 |
Efficient, rapid, and high‐yield synthesis of aryl Schiff base derivatives and their in vitro and in silico inhibition studies of hCA I, hCA II, AChE, and BuChE M Özil, HT Balaydın, B Dogan, M Şentürk, S Durdagi Archiv der Pharmazie, e2300266, 2024 | 2 | 2024 |