Browsing by Author "Al-Obaidi, Anas"
Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes Authors:Elmezayen, Ammar D.; Al-Obaidi, Anas; Sahin, Alp Tegin; Yelekci, Kemal
Publisher and Date:(TAYLOR & FRANCIS LTD, 2020)In December 2019, COVID-19 epidemic was described in Wuhan, China, and the infection has spread widely affecting hundreds of thousands. Herein, an effort was made to identify commercially available drugs in order to repurpose them against coronavirus by the means of structure-based virtual screening. In addition, ZINC15 library was used to identify novel leads against main proteases. Human TMPRSS2 3D structure was first generated using homology modeling approach. Our molecular docking study showed ...
Homology modeling of human GABA-AT and devise some novel and potent inhibitors via computer-aided drug design techniques Authors:Al-Obaidi, Anas; Elmezayen, Ammar D; Yelekçi, Kemal
Publisher and Date:(Taylor & Francis Inc, 2020)Gamma-aminobutyric acid aminotransferase (GABA-AT) is a pyridoxal 5 '-phosphate (PLP)-dependent enzyme which degrades gamma-aminobutyric (GABA) in the brain. GABA is an important inhibitory neurotransmitter that plays important neurological roles in the brain. Therefore, GABA-AT is an important drug target which regulates the GABA level. Novel and potent drug development to inhibit GABA-AT is still very challenging task. In this study, we aimed to devise novel and potent inhibitors against GABA-AT ...