Integration of multi-scale molecular modeling approaches with experiments for the in silico guided design and discovery of novel hERG-Neutral antihypertensive oxazalone and imidazolone derivatives and analysis of their potential restrictive effects on cell proliferation

Autor: Durdagi, Serdar, Aksoydan, Busecan, Erol, Ismail, Kantarcioglu, Isik, Ergun, Yavuz, Bulut, Gulay, Acar, Melih, Avsar, Timucin, Liapakis, George, Karageorgos, Vlasios, Salmas, Ramin E., Sergi, Barış, Alkhatib, Sara, Turan, Gizem, Yigit, Berfu Nur, Cantasir, Kutay, Kurt, Bahar, Kilic, Turker

Publikováno v: In European Journal of Medicinal Chemistry 10 February 2018 145:273-290

Identification of novel serotonin reuptake inhibitors targeting central and allosteric binding sites: A virtual screening and molecular dynamics simulations study

Autor: Erol, Ismail, Aksoydan, Busecan, Kantarcioglu, Isik, Salmas, Ramin E., Durdagi, Serdar

Publikováno v: In Journal of Molecular Graphics and Modelling June 2017 74:193-202

Kinetic And Docking Studies Of Cytosolic/Tumor-Associated Carbonic Anhydrase Isozymes I, Ii And Ix With Some Hydroxylic Compounds

Autor: Durdagi, Serdar, Korkmaz, Neslihan, Isik, Semra, Vullo, Daniela, Astley, Demet, Ekinci, Deniz, Salmas, Ramin E., Senturk, Murat, Supuran, Claudiu T.

A series of hydroxylic compounds (1-10, NK-154 and NK-168) have been assayed for the inhibition of three physiologically relevant carbonic anhydrase isozymes, the cytosolic isozymes I, II and tumor-associated isozyme IX. The investigated compounds sh

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=r39c86a4b39b::99737cef820e70f2a0782dccca331edf
https://aperta.ulakbim.gov.tr/record/57105

Kinetic and docking studies of cytosolic/tumor-associated carbonic anhydrase isozymes I, II and IX with some hydroxylic compounds.

Autor: Durdagi S; a Department of Biophysics , School of Medicine, Bahçeşehir University , Istanbul , Turkey ., Korkmaz N; b Department of Chemistry , Science Faculty, Ege University , Izmir , Turkey ., Işık S; c Department of Chemistry , Science & Art Faculty, Balikesir University , Balikesir , Turkey ., Vullo D; d Polo Scientifico, Laboratorio Di Chimica Bioinorganica, Università Degli Studi Di Firenze , Florence , Italy ., Astley D; b Department of Chemistry , Science Faculty, Ege University , Izmir , Turkey ., Ekinci D; e Department of Agricultural Biotechnology , Faculty of Agriculture, Ondokuz Mayıs University , Samsun , Turkey , and., Salmas RE; a Department of Biophysics , School of Medicine, Bahçeşehir University , Istanbul , Turkey ., Senturk M; f Department of Chemistry , Art and Science Faculty, Ağrı Ibrahim Cecen University , Agri , Turkey., Supuran CT; d Polo Scientifico, Laboratorio Di Chimica Bioinorganica, Università Degli Studi Di Firenze , Florence , Italy .

Publikováno v: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2016 Dec; Vol. 31 (6), pp. 1214-20. Date of Electronic Publication: 2015 Dec 04.