<i>In silico</i> identification of potential SARS COV-2 2′-<i>O</i>-methyltransferase inhibitor: fragment-based screening approach and MM-PBSA calculations
Mahmoud A. El Hassab, Tamer M. Ibrahim, Aly A. Shoun, Sara T. Al‐Rashood, Hamad M. Alkahtani, Amal Alharbi, Razan O. Eskandrani, Wagdy M. Eldehna
Abstract
The identification of AP-20 as a potential SARS COV-2 2′- O -methyltransferase inhibitor: fragment-based screening approach and MM-PBSA calculations.
Topics & Concepts
O-methyltransferaseMethyltransferaseIn silicoEnzymeChemistryDocking (animal)StereochemistryFragment (logic)Protein Data Bank (RCSB PDB)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Computational biologyCoronavirus disease 2019 (COVID-19)BiochemistryBiologyComputer scienceMedicineDNAAlgorithmDiseaseMethylationInfectious disease (medical specialty)GeneNursingPathologyRNA and protein synthesis mechanismsComputational Drug Discovery MethodsHIV/AIDS drug development and treatment