DESIGN, SYNTHESIS AND ANTIMICROBIAL EVALUATION OF N-PHENYLACETYLAMIDO DERIVATIVES OF HETEROCYCLIC COMPOUNDS

Ghadge Ojaswi*, Nadar Divya, Parmar Digna and Mahajan S. S.

ABSTRACT

Microbial infections pose a continuing and serious threat to human health. The intrinsic resistance has been observed in many genera of bacteria and fungi. Many infections are caused by opportunistic pathogens that may be endogenous. So, new chemical entities are needed to combat various microbial infections. In the present study, design, synthesis and evaluation of antibacterial and antifungal activities of simple N-phenylacetylamide derivatives of benzothiazole/ benzimidazole/ morpholine moieties are reported. Design of antibacterial and antifungal activities was carried out by performing docking studies using Glide module of the molecular modelling software Maestro 10.5 from Schrödinger, USA. A cubing receptor grid was centered around the co-crystallized ligand. Validation of ligands was carried out by dedocking and redocking the inhibitor. The SP (standard precision) scoring function was used. The compounds showing good G-scores were synthesized and their structures were confirmed by physical and spectral studies. The synthesized compounds were screened for antibacterial activity against Staphylococcus aureus and Escherichia coli and for antifungal activity against Aspergillus niger. Synthesized compounds exhibited significant antimicrobial activity and can certainly hold greater promise in discovering new antimicrobial entities.

Keywords: Benzothiazole, benzimidazole, morpholine, antimicrobial activity, molecular docking.