Single crystal, conformational, quantum reactivity, hirshfeld surface, molecular interactions, ADMET, and molecular docking investigations on HIV-1 site of 3-isopropyldiphenyl-1-(2-(thiophen-2yl)acetyl)piperidin-4-one
Nepolraj Amaladoss, Venkateswaramoorthi Ramasamy, Krishnasamy Kuppusamy
Topics & Concepts
ChemistryDocking (animal)Human immunodeficiency virus (HIV)Crystal structureStereochemistryComputational chemistryCrystallographyVirologyMedicineNursingBiologySynthesis and biological activityNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic Compounds