Inhibitors of Heptosyltransferase I to prevent heptose transfer against antibiotic resistance of E. coli: Energetics and stability analysis by DFT and molecular dynamics
Uddipan Bhattacharya, Saroj Kumar Panda, Parth Sarthi Sen Gupta, Malay Kumar Rana
Topics & Concepts
ChemistrychEMBLVirtual screeningEscherichia coliHeptoseIn silicoLipinski's rule of fivePubChemBiochemistryPharmacophoreCombinatorial chemistryDrug discoveryMutantGeneRNA and protein synthesis mechanismsEnzyme Structure and FunctionCancer therapeutics and mechanisms