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 | 181 | 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 | 153 | 2015 |
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 | 150 | 2016 |
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 | 131 | 2014 |
Strategies in the rational drug design T Mavromoustakos, S Durdagi, C Koukoulitsa, M Simcic, ... Current medicinal chemistry 18 (17), 2517-2530, 2011 | 131 | 2011 |
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 | 126 | 2011 |
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 | 124 | 2008 |
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 | 113 | 2013 |
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 | 94 | 2011 |
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 | 91 | 2010 |
Inhibition of acetylcholinesterase and butyrylcholinesterase with uracil derivatives: kinetic and computational studies H Cavdar, M Senturk, M Guney, S Durdagi, G Kayik, CT Supuran, D Ekinci Journal of enzyme inhibition and medicinal chemistry 34 (1), 429-437, 2019 | 88 | 2019 |
Combinatorial peptide library screening for discovery of diverse α-glucosidase inhibitors using molecular dynamics simulations and binary QSAR models A Mollica, G Zengin, S Durdagi, R Ekhteiari Salmas, G Macedonio, ... Journal of Biomolecular Structure and Dynamics 37 (3), 726-740, 2019 | 85 | 2019 |
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 | 83 | 2012 |
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 | 77 | 2009 |
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 | 73 | 2017 |
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 | 71 | 2008 |
Virtual screening of eighteen million compounds against dengue virus: Combined molecular docking and molecular dynamics simulations study SB Mirza, RE Salmas, MQ Fatmi, S Durdagi Journal of Molecular Graphics and Modelling 66, 99-107, 2016 | 66 | 2016 |
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 | 64 | 2011 |
Development of accurate binding affinity predictions of novel renin inhibitors through molecular docking studies A Politi, S Durdagi, P Moutevelis-Minakakis, G Kokotos, ... Journal of Molecular Graphics and Modelling 29 (3), 425-435, 2010 | 64 | 2010 |
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 | 62 | 2010 |