|Advances in GPCR Modeling evaluated by the GPCR Dock 2013|
I Kufareva, V Katritch, P Biggin, M Kim, K Park, SW Jung, AE Cho, ...
Structure 22, 1120-1139, 2014
|Discovery of potent carbonic anhydrase and acetylcholine esterase inhibitors: novel sulfamoylcarbamates and sulfamides derived from acetophenones|
A Akıncıoğlu, H Akıncıoğlu, İ Gülçin, S Durdagi, CT Supuran, S Göksu
Bioorganic & medicinal chemistry 23 (13), 3592-3602, 2015
|Kinetic and docking studies of phenol-based inhibitors of carbonic anhydrase isoforms I, II, IX and XII evidence a new binding mode within the enzyme active site|
S Durdagi, M Şentürk, D Ekinci, HT Balaydın, S Göksu, Öİ Küfrevioğlu, ...
Bioorganic & medicinal chemistry 19 (4), 1381-1389, 2011
|Carbonic anhydrase inhibitory properties of novel benzylsulfamides using molecular modeling and experimental studies|
S Göksu, A Naderi, Y Akbaba, P Kalın, A Akıncıoğlu, I Gülçin, S Durdagi, ...
Bioorganic chemistry 56, 75-82, 2014
|Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues …|
S Durdagi, T Mavromoustakos, N Chronakis, MG Papadopoulos
Bioorganic & medicinal chemistry 16 (23), 9957-9974, 2008
|Combined receptor and ligand-based approach to the universal pharmacophore model development for studies of drug blockade to the hERG1 pore domain|
S Durdagi, HJ Duff, SY Noskov
Journal of chemical information and modeling 51 (2), 463-474, 2011
|Strategies in the rational drug design|
T Mavromoustakos, S Durdagi, C Koukoulitsa, M Simcic, ...
Current medicinal chemistry 18 (17), 2517-2530, 2011
|Acetylcholinesterase and carbonic anhydrase inhibitory properties of novel urea and sulfamide derivatives incorporating dopaminergic 2-aminotetralin scaffolds|
B Özgeriş, S Göksu, LP Köse, I Gülçin, RE Salmas, S Durdagi, F Tümer, ...
Bioorganic & medicinal chemistry 24 (10), 2318-2329, 2016
|Nanoscale enzyme inhibitors: fullerenes inhibit carbonic anhydrase by occluding the active site entrance|
A Innocenti, S Durdagi, N Doostdar, TA Strom, AR Barron, CT Supuran
Bioorganic & medicinal chemistry 18 (8), 2822-2828, 2010
|In Silico Drug Screening Approach for the Design of Magic Bullets: A Successful Example with Anti-HIV Fullerene Derivatized Amino Acids|
S Durdagi, CT Supuran, TA Strom, N Doostdar, MK Kumar, AR Barron, ...
Journal of chemical information and modeling 49 (5), 1139-1143, 2009
|Identification of novel cholesterol-binding regions in Kir2 channels|
A Rosenhouse-Dantsker, S Noskov, S Durdagi, DE Logothetis, I Levitan
Journal of Biological Chemistry 288 (43), 31154-31164, 2013
|3D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitors|
S Durdagi, T Mavromoustakos, MG Papadopoulos
Bioorganic & medicinal chemistry letters 18 (23), 6283-6289, 2008
|Modeling of open, closed, and open-inactivated states of the hERG1 channel: structural mechanisms of the state-dependent drug binding|
S Durdagi, S Deshpande, HJ Duff, SY Noskov
Journal of chemical information and modeling 52 (10), 2760-2774, 2012
|Structural refinement of the hERG1 pore and voltage‐sensing domains with ROSETTA‐membrane and molecular dynamics simulations|
J Subbotina, V Yarov‐Yarovoy, J Lees‐Miller, S Durdagi, J Guo, HJ Duff, ...
Proteins: Structure, Function, and Bioinformatics 78 (14), 2922-2934, 2010
|Insights into the molecular mechanism of hERG1 channel activation and blockade by drugs|
S Durdagi, J Subbotina, J Lees-Miller, J Guo, H J Duff, S Y Noskov
Current medicinal chemistry 17 (30), 3514-3532, 2010
|Application of 3D QSAR CoMFA/CoMSIA and in silico docking studies on novel renin inhibitors against cardiovascular diseases|
A Politi, S Durdagi, P Moutevelis-Minakakis, G Kokotos, ...
European journal of medicinal chemistry 44 (9), 3703-3711, 2009
|Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson–Boltzmann surface area calculations|
H Tzoupis, G Leonis, S Durdagi, V Mouchlis, T Mavromoustakos, ...
Journal of computer-aided molecular design 25 (10), 959-976, 2011
|Design, synthesis and biological evaluation of novel nitroaromatic compounds as potent glutathione reductase inhibitors|
R Çakmak, S Durdagi, D Ekinci, M Şentürk, G Topal
Bioorganic & medicinal chemistry letters 21 (18), 5398-5402, 2011
|The synthesis of novel sulfamides derived from β-benzylphenethylamines as acetylcholinesterase, butyrylcholinesterase and carbonic anhydrase enzymes inhibitors|
A Akıncıoğlu, E Kocaman, H Akıncıoğlu, RE Salmas, S Durdagi, İ Gülçin, ...
Bioorganic Chemistry 74, 238-250, 2017
|Structure–activity relationships for the interaction of 5, 10-dihydroindeno [1, 2-b] indole derivatives with human and bovine carbonic anhydrase isoforms I, II, III, IV and VI|
D Ekinci, H Çavdar, S Durdagi, O Talaz, M Şentürk, CT Supuran
European journal of medicinal chemistry 49, 68-73, 2012