In silico virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling, molecular docking, and dynamics simulations
Umesh Panwar, Sanjeev Kumar Singh
Topics & Concepts
IntegraseVirtual screeningPharmacophoreDocking (animal)In silicoComputational biologyMolecular dynamicsSmall moleculeChemistryIntegrase inhibitorHuman immunodeficiency virus (HIV)BiologyBiochemistryVirologyViral loadGeneComputational chemistryAntiretroviral therapyMedicineNursingHIV/AIDS drug development and treatmentBiochemical and Molecular ResearchHIV Research and Treatment