Click synthesis, anti-bacterial activity, and molecular docking study of a new Benzocaine derivatives

Abstract

This study included synthesis of new Benzocaine derivatives (B2-B16) synthesized by converting of Benzocaine into benzocaine hydrazide B1 that cyclized into 1,3,4 oxadiazole 2-thion this compound cyclized into carbinol derivatives B4. The B4 compound esterfied with various bioactive carboxylic acids to generate (B6-B16) derivatives.  The newly synthesized compounds were confirmed by available spectral methods: FT-IR, ¹H-NMR. The antibacterial activity for synthesized compounds was evaluated against two pathogenic bacteria, A.baumanii and S.aureus. all the compounds demonstrated promising activity against S.aureus except B8 while B5,B6, B12 and B13 showed moderate activity against of A.baumanii . Molecular modeling studies were performed for the compounds that exhibited high antibacterial activity against the binding sites of biotin protein ligase (PDB:ID: 4dq2) and compound with ATP phosphoribosyltransferase ( PDB:ID:8oy0 ) the obtained results indicated to a good binding mods with targetuxed protein.uhm