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 | 151 | 2016 |
Carbonic Anhydrase Inhibitory Properties of Novel Benzylsulfamides Using Molecular Modelling and Experimental Studies S Göksu, A Naderi, Y Akbaba, P Kalın, A Akıncıoğlu, İ Gülçin, S Durdagi, ... Bioorganic Chemistry, 2014 | 131 | 2014 |
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 | 87 | 2019 |
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 | 74 | 2017 |
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 | 65 | 2016 |
Synthesis, anticholinesterase activity and molecular modeling study of novel carbamate-substituted thymol/carvacrol derivatives BZ Kurt, I Gazioglu, A Dag, RE Salmas, G Kayık, S Durdagi, F Sonmez Bioorganic & medicinal chemistry 25 (4), 1352-1363, 2017 | 61 | 2017 |
Carbonic anhydrase inhibitors: Design, synthesis, kinetic, docking and molecular dynamics analysis of novel glycine and phenylalanine sulfonamide derivatives I Fidan, RE Salmas, M Arslan, M Şentürk, S Durdagi, D Ekinci, E Şentürk, ... Bioorganic & Medicinal Chemistry 23 (23), 7353-7358, 2015 | 53 | 2015 |
Binding interactions of dopamine and apomorphine in D2High and D2Low states of human dopamine D2 receptor using computational and experimental techniques S Durdagi, RE Salmas, M Stein, M Yurtsever, P Seeman ACS Chemical Neuroscience 7 (2), 185-195, 2016 | 52 | 2016 |
Effects of propolis, caffeic acid phenethyl ester, and pollen on renal injury in hypertensive rat: An experimental and theoretical approach RE Salmas, MF Gulhan, S Durdagi, E Sahna, HI Abdullah, Z Selamoglu Cell biochemistry and function 35 (6), 304-314, 2017 | 49 | 2017 |
Characterization, in vivo evaluation, and molecular modeling of different propofol–cyclodextrin complexes to assess their drug delivery potential at the blood–brain barrier level S Shityakov, RE Salmas, S Durdagi, E Salvador, K Pápai, ... Journal of chemical information and modeling 56 (10), 1914-1922, 2016 | 46 | 2016 |
Fullerene‐based inhibitors of HIV‐1 protease TA Strom, S Durdagi, SS Ersoz, RE Salmas, CT Supuran, AR Barron Journal of Peptide Science 21 (12), 862-870, 2015 | 46 | 2015 |
Investigation of inhibition mechanism of chemokine receptor CCR5 by micro-second molecular dynamics simulations RE Salmas, M Yurtsever, S Durdagi Scientific reports 5 (1), 13180, 2015 | 45 | 2015 |
Evaluation of the potential toxicity of unmodified and modified cyclodextrins on murine blood-brain barrier endothelial cells S Shityakov, RE Salmas, E Salvador, N Roewer, J Broscheit, C Förster The Journal of Toxicological Sciences 41 (2), 175-184, 2016 | 41 | 2016 |
Synthesis, bioactivity and binding energy calculations of novel 3-ethoxysalicylaldehyde based thiosemicarbazone derivatives M Ishaq, P Taslimi, Z Shafiq, S Khan, RE Salmas, MM Zangeneh, ... Bioorganic chemistry 100, 103924, 2020 | 40 | 2020 |
Investigating the molecular mechanism of staphylococcal DNA gyrase inhibitors: A combined ligand-based and structure-based resources pipeline S Durdagi, MT ul Qamar, RE Salmas, Q Tariq, F Anwar, UA Ashfaq Journal of Molecular Graphics and Modelling 85, 122-129, 2018 | 38 | 2018 |
Silver–Sodium ion exchange dynamics in LTA zeolite membranes R Ekhteiari Salmas, B Demir, E Yıldırım, A Sirkecioglu, M Yurtsever, ... The journal of physical chemistry C 117 (4), 1663-1671, 2013 | 37 | 2013 |
Synthesis, biological activity and multiscale molecular modeling studies for coumaryl-carboxamide derivatives as selective carbonic anhydrase IX inhibitors B Zengin Kurt, F Sonmez, S Durdagi, B Aksoydan, R Ekhteiari Salmas, ... Journal of Enzyme Inhibition and Medicinal Chemistry 32 (1), 1042-1052, 2017 | 35 | 2017 |
Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactions RE Salmas, M Yurtsever, M Stein, S Durdagi Molecular diversity 19 (2), 321-332, 2015 | 35 | 2015 |
Solubility profiles, hydration and desolvation of curcumin complexed with γ-cyclodextrin and hydroxypropyl-γ-cyclodextrin S Shityakov, RE Salmas, S Durdagi, N Roewer, C Förster, J Broscheit Journal of Molecular Structure 1134, 91-98, 2017 | 34 | 2017 |
Molecular modeling and in vitro approaches towards cholinesterase inhibitory effect of some natural xanthohumol, naringenin, and acyl phloroglucinol derivatives IE Orhan, D Jedrejek, FS Senol, RE Salmas, S Durdagi, I Kowalska, ... Phytomedicine 42, 25-33, 2018 | 33 | 2018 |