Synthesis, biological evaluation, and molecular docking studies of 1,3,4-thiadiazol-2-amide derivatives as novel anticancer agents.

A series of 1,3,4-thiadiazol-2-amide derivatives have been designed and synthesized, and their biological activities were also evaluated as potential antiproliferation and FAK inhibitors. Compound 5h possessed the most potent FAK inhibitory activity (IC50=5.32μM) and anticancer activities (IC50=0.45μM for MCF-7 and IC50=0.31μM for B16-F10). Docking simulation was performed to insert compound 5h into the crystal structure of FAK to determine the probable binding model.