Targeting SARS-CoV-2 main protease by teicoplanin: A mechanistic insight by docking, MM/GBSA and molecular dynamics simulation
Faizul Azam, Eltayeb E. M. Eid, Abdulkarim Almutairi
Topics & Concepts
ChemistryDocking (animal)TeicoplaninMolecular mechanicsMolecular dynamicsComputational biologyProteaseRational designDrug designDrug discoveryStereochemistryVancomycinBiochemistryComputational chemistryEnzymeBiologyMedicineBacteriaGeneticsStaphylococcus aureusNursingComputational Drug Discovery MethodsSynthesis and biological activityBioactive Compounds and Antitumor Agents