Synthesis, in vitro α-amylase activity and molecular docking study of benzoxazole derivatives

In current study, an efficient and simple synthesis of phenyl-benzoxazoles derivatives (1-14) were carried out, upon cyclization of 2-aminophenol with substituted aldehyde. All synthesized derivatives were characterized through NMR and HREI-MS spectroscopic techniques. All derivatives showed from excellent to moderate inhibitory potential with IC50 value ranging from 0.80 f 0.09 to 19.30 f 0.49 mu M as compared to the reference drug acarbose (IC50 = 1.70 f 0.10 mu M). Derivative 9 (IC50 = 0.80 f 0.09 mu M) was the most potent while derivative 10 (IC50 = 1.03 f 0.03 mu M) with stand second most potent one. Structural activity relationship (SAR) was carried out which mainly depend upon nature, position and number of the substituent/s on aryl ring. Molecular docking study was carried out to determine the binding interaction of the most potent derivatives in the active site/s of enzyme.