Abstract

SYNTHESIS AND MOLECULAR MODELLING STUDIES OF SUBSTITUTED NOVEL ARYL AMIDE ANALOGUES AND EVALUATION OF THEIR ANTIMICROBIAL ACTIVITY

Jalapathi Pochampally*, Anil Valeru, Ramesh Macha, Parthasarathy Tigulla,Bharath Gandu, Gangagnirao Anupoju

ABSTRACT

The present investigation is concerned with the design, synthesis of a series of tert-butyl 2-substituted amidophenylcarbamate derivatives with the object of discovering in vitro antibacterial and antifungal active agents. The compounds were synthesized in good yields. All the analogues were screened for antibacterial activity against three gram positive and three gram negative species. The compounds 5b and 5d showed higher antibacterial effect than standard norfloxacin. The remaining analogues were showed good to moderate antibacterial activity. The compounds 5b and 5c showed higher anti fungal activity than standard drug. The MIC data of the compound suggested that the compounds 5d and 5j are more potent against bacteria and fungi respectively. The molecular docking studies showed a good correlation between their antimicrobial activity, docking score, binding energy values and are found that the compound 5d is the best fit.

Keywords: Amide analogues, Synthesis, Antimicrobial activity, Molecular modelling studies.