Browsing by Author "Al-Obaidi, Anas"
Now showing items 1-4 of 4
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Discovery of novel isoform-selective histone deacetylases 5 and 9 inhibitors through combined ligand-based pharmacophore modeling, molecular mocking, and molecular dynamics simulations for cancer treatment
Elmezayen, Ammar D.; Al-Obaidi, Anas; Yelekçi, Kemal (Elsevier, 2021-07)Class IIa histone deacetylases (HDACs) 5 and 9 play crucial roles in several human disorders such as cancer, making them important targets for drug design. Continuous research is pursed to overcome the cytotoxicity side ... -
Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes
Elmezayen, Ammar D.; Al-Obaidi, Anas; Sahin, Alp Tegin; Yelekçi, Kemal (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 ... -
Homology modeling of human GABA-AT and devise some novel and potent inhibitors via computer-aided drug design techniques
Al-Obaidi, Anas; Elmezayen, Ammar D; Yelekçi, Kemal (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 ... -
Seq12, Seq12m, and Seq13m, peptide analogues of the spike glycoprotein shows antiviral properties against SARS-CoV-2: An in silico study through molecular docking, molecular dynamics simulation, and MM-PB/GBSA calculations
Dutta, Kunal; Elmezayen, Ammar D.; Al-Obaidi, Anas; Zhu, Wei; Morozova, Olga, V; Shityakov, Sergey; Khalifa, Ibrahim (Elsevier, 2021)At the very beginning of the new decade, the COVID-19 pandemic has badly hit modern human soci-eties. SARS-CoV-2, the causative agent of COVID-19 acquiring mutations and circulating as new variants. Herein, we have found ...