Molecular docking, ADME-Tox, DFT and molecular dynamics simulation of butyroyl glucopyranoside derivatives against DNA gyrase inhibitors as antimicrobial agents
Nasrin Akter, Lotfi Bourougaa, Mebarka Ouassaf, Ripon C. Bhowmic, Kabir M. Uddin, Ajmal R. Bhat, Sumeer Ahmed, Sarkar M. A. Kawsar
Topics & Concepts
ChemistryDNA gyraseADMEDocking (animal)StereochemistryMolecular modelMolecular dynamicsAntimicrobialCombinatorial chemistryIn silicoComputational chemistryBiochemistryIn vitroOrganic chemistryEscherichia coliGeneNursingMedicineSynthesis and biological activityBioactive Compounds and Antitumor AgentsCancer therapeutics and mechanisms