A series of novel 4,5-diphenyloxazol-1,2,4-triazole derivatives (6 a-6 l) were synthesized and screened for anticancer activity against the prostate lung cancer cell lines viz., PC-93 and HBT-55. The outcome of the investigation reveals that compounds 6 a, 6 b and 6 j showed potential anticancer activity against PC-93 cell line with the half maximal inhibitory concentration (IC 50 ) values of 13.12, 15.34, and 16.34 μM, respectively. Compounds 6 a, 6 d and 6 j exhibited potential anticancer activity against HBT-55 cell line with IC 50 value 17.28, 16.48, and 15.12 μM respectively, when compared to standard drug doxorubicin. Further, docking studies are performed to under-stand the possible interactions responsible for their potential activity by considering the Fibroblast growth factor receptor 1 (FGFR1) and the Ser-/Thr-specific kinase Akt protein (Akt) as target proteins. The amino acid residues from ALA639 to PRO741 of FGFR1 and from GLU17 to ASP292 of Akt proteins are involved in non-covalent interactions with the ligands 6 a-6 l. The insilico pharmacokinetic properties are predicted for the molecules 6 a-6 l to assess the druggability. The study provides that compounds 6 a, 6 b, 6 d, and 6 j scaffolds serve as promising lead molecules for treating cancer and further structure optimizations.

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