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Berna Dogan
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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
542019
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
292021
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
242021
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
242020
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
242020
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
222012
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
182020
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
162020
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
162019
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
102022
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
92022
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
92021
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
82022
In silico dissolution rates of pharmaceutical ingredients
B Dogan, J Schneider, K Reuter
Chemical Physics Letters 662, 52-55, 2016
82016
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
72021
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
62021
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
42020
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
32021
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
22023
Integration of text mining and binary QSAR models for novel anti-hypertensive antagonist scaffolds
S Durdagi, I Erol, B Dogan, TB Sen
Biophysical Journal 116 (3), 478a, 2019
12019
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