Molecular docking-based virtual screening, molecular dynamic simulation, and 3-D QSAR modeling of some pyrazolopyrimidine analogs as potent anti-filarial agents
Fabian Audu Ugbe, Gideon Adamu Shallangwa, Adamu Uzairu, Ibrahim Abdulkadir
Topics & Concepts
Quantitative structure–activity relationshipWolbachiaVirtual screeningComputational biologyStereochemistryDocking (animal)ChemistryDrugMolecular modelComputational chemistryCombinatorial chemistryPharmacologyBiologyMedicineBiochemistryPharmacophoreGeneNursingComputational Drug Discovery MethodsSynthesis and Biological EvaluationInsect Utilization and Effects