QSAR Study for Developing a New c-SRC Tyrosine Kinase Inhibitors

c-Src tyrosine kinase is a member of the SRC family kinase, it plays a critical role in various cellular processes, including proliferation, migration, and apoptosis by modulating cell signaling pathways. Dysregulation of c-Src kinase is implicated in numerous diseases, particularly cancer, where its aberrant activation promotes tumor growth, metastasis, and drug resistance. This study explored the use of Quantitative Structure-Activity Relationship (QSAR) modeling to design novel inhibitors targeting c-Src kinase. By compiling a dataset of known c-Src inhibitors, calculating descriptors, and employing multiple linear regression analysis, a robust QSAR model was developed. Key descriptors such as Jurs_PPSA1, Jx, and HBA_Count were identified as significant contributors to inhibition activity. Based on the findings from the Structure-Activity Relationship (QSAR) analysis, several new compounds have been proposed, they showed a high potency as c-SRC enzyme inhibitors.