Inhibition of Fibroblast Activation Protein alpha (FAP-α) in Colorectal Cancer

Abstract

Being one of the leading cause of death worldwide, the fatality of colorectal cancer is increasing day by day causing approximately 862,000 deaths annually, according to IARC, 2020. As most of the conventional chemotherapeutics are becoming resistant, an in silico study was done using synthetic and natural small molecules to identify possible drug that may be proposed in the treatment of colorectal cancer. Because of having a significant role in the tumor progression of colorectal cancer, FAP-α was taken as the macromolecule. Molecular docking was performed and binding affinities were evaluated. Furthermore, the results were visualized by Discovery Studio to find out non-bonded ligand-protein interaction. At the end, admetSAR property of the drugs were assessed and compared with the standard drug. Therefore, analyzing all the in silico results, the selected drugs having the property of inhibiting FAP-α were proposed for the treatment of colorectal cancer.