Atom-based 3D-QSAR, molecular docking, DFT, and simulation studies of acylhydrazone, hydrazine, and diazene derivatives as IN-LEDGF/p75 inhibitors
Umesh Panwar, Sanjeev Kumar Singh
Topics & Concepts
IntegraseChemistryQuantitative structure–activity relationshipDocking (animal)Integrase inhibitorRational designStereochemistryHydrogen bondCombinatorial chemistryComputational chemistryComputational biologyMoleculeHuman immunodeficiency virus (HIV)BiochemistryNanotechnologyOrganic chemistryDNAViral loadAntiretroviral therapyNursingMaterials scienceBiologyMedicineFamily medicineHIV/AIDS drug development and treatmentHIV Research and TreatmentHIV/AIDS Research and Interventions