Abstract

MOLECULAR PROPERTIES AND DOCKING STUDIES OF CERTAIN NOVEL PYRAZOLE INCORPORATED COUMARIN DERIVATIVES AS ANTI-OXIDANT AGENTS

Lekha Prabakaran*, Vijayabaskaran Manickam, Arun Prasanth V., Dharani Prasanth R., Jayaraahini S. and Karthick G.

ABSTRACT

Drug design is the inventive process of finding new medications based on the knowledge of a biological target. The major aim is to find whether the given molecule bind to the target and causes pharmacological actions or not. This study involves the molecular docking of certain novel pyrazole incorporated coumarin derivatives as possess potent anti-oxidant activity. The compound was computationally designed and optimized with the docking to investigate the interaction between the target protein tyrosinase(pdb-3NM8). The anti-oxidant activities against target protein were investigated by molecular docking using the auto dock software. Among the entire designed compound have more binding energy values. Here we also studied the molecular properties of designed compound using molinspiration software.

Keywords: Tyrosinase, Pyrazole, Coumarin derivatives, Docking, Auto dock.