Possible Binding Mode Analysis of Pyrazolo-triazole Hybrids as Potential Anticancer Agents through Validated Molecular Docking and 3D-QSAR Modeling Approaches

Background: There has been a growing interest of pharmacophore hybridization in anticancer drug discovery that may be utilized for designing new potential lead candidates against multiple targets that may exhibit synergetic activity. Pyrazole and 1,2,3-triazole nucleus are amongst the most important ones. Keywords: ADMET, anticancer agents, druggability prediction, k-Nearest neighbor molecular field analysis, molecular docking, pyrazolo-triazole hybrids.