Computational design of quinoxaline molecules as VEGFR-2 inhibitors: QSAR modelling, pharmacokinetics, molecular docking, and dynamics simulation studies
Sagiru Hamza Abdullahi, Adamu Uzairu, Ammar Usman Danazumi, Elizabeth Finbarrs-Bello, Abdullahi Bello Umar, Gideon Adamu Shallangwa, Sani Uba
Topics & Concepts
QuinoxalineDocking (animal)Quantitative structure–activity relationshipComputational biologyDrugIn silicoLigand (biochemistry)ChemistrySmall moleculePharmacologyCombinatorial chemistryStereochemistryBiologyBiochemistryReceptorMedicineNursingOrganic chemistryGeneSynthesis and Biological EvaluationClick Chemistry and ApplicationsBioactive Compounds and Antitumor Agents