Identification of potential flavonoid compounds as antibacterial therapeutics against Klebsiella pneumoniae infection using structure-based virtual screening and molecular dynamics simulation
Jyotirmayee Dey, Soumya Ranjan Mahapatra, T. Kiran Raj, Namrata Misra, Mrutyunjay Suar
Topics & Concepts
PubChemVirtual screeningIn silicoKlebsiella pneumoniaeDocking (animal)AntimicrobialComputational biologyChemistryAntibacterial activityDrugQuantitative structure–activity relationshipFlavonoidAntibioticsDrug discoveryBiologyCombinatorial chemistryPharmacologyBacteriaEscherichia coliMicrobiologyStereochemistryBiochemistryMedicineNursingGeneGeneticsAntioxidantComputational Drug Discovery MethodsAntibiotic Resistance in BacteriaSynthesis and biological activity