|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
|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
|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
|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
|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
|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
|Investigation of inhibition mechanism of chemokine receptor CCR5 by micro-second molecular dynamics simulations|
RE Salmas, M Yurtsever, S Durdagi
Scientific reports 5 (1), 1-12, 2015
|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
|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
|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
|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
|Elucidation of conformational states, dynamics, and mechanism of binding in human κ-opioid receptor complexes|
G Leonis, A Avramopoulos, RE Salmas, S Durdagi, M Yurtsever, ...
Journal of chemical information and modeling 54 (8), 2294-2308, 2014
|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
|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
|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
|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
|Leveraging NMR and X-ray data of the free ligands to build better drugs targeting angiotensin II type 1 G-protein coupled receptor|
T F Kellici, D Ntountaniotis, E Kritsi, M Zervou, P Zoumpoulakis, ...
Current medicinal chemistry 23 (1), 36-59, 2016
|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
|Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development …|
SB Mirza, RCH Lee, JJH Chu, RE Salmas, T Mavromoustakos, S Durdagi
Journal of Molecular Graphics and Modelling 79, 88-102, 2018
|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