Synthesis and Molecular Docking Studies of Novel 2-Phenyl-4-Substituted Oxazole Derivatives as Potential Anti-cancer Agents

(Figure presented) A novel series of 2,4-disubstituted oxazole derivatives were synthesized, screened for their anti-tumor activity against three cell lines MCF-7, TK-10, and UACC-62. Molecular docking study was carried out against epidermal growth factor receptor. A new series of 2-phenyl-4-substituted oxazole derivatives were synthesized. A series of chiral α-amino acid derivatives 6, 7, 8, 9, 10, 11, 12, 13, 14, 15 were synthesized by coupling various l-acylated amino acid azide 3. The synthesized compounds were tested for their in vitro antitumor activity against MCF-7, TK-10, and UACC-62 cell lines. Compound 6 exhibited the strongest inhibitory activity against TK cell lines, while compound 12 showed the highest activity against MCF-7 cell lines. Compound 14 was the most active against UACC-62 cell lines. Furthermore, a molecular docking study of the most active compounds was carried out using epidermal growth factor receptor X-ray 3D structure (protein data bank ID 1 M17). Docking results revealed that compound 6 showed the highest binding energy of ΔG = -78.17 Kcal/mol.