ANTIMICROBIAL SCREENING OF CRUDE EXTRACT OF PLUCHEA ARABICA: CHEMICAL COMPONENTS, DRUG LIKENESS, PHYSICOCHEMICAL PROPERTY AND MOLECULAR DOCKING ASSESSMENT

Mohammad Arshad,* and Mohd Shadab

ABSTRACT

Objective: To explore the antimicrobial efficacy of the crude extract of Pluchea Arabica, drug likeness, physicochemical and molecular studies of its components. Methods: The crude extract was obtained applying soxhelt extraction assembly and the antimicrobial screening was performed using disc diffusion method. The drug likeness and physicochemical were investigated by employing the available software on the web (www. molinspiration.com) and molecular docking studies was carried out by Auto Dock Tools-4.2. Results: The methanol extract possess significant activity in comparison to the n-hexane extract. All the components following the Lipinski rule, out of all three components showed good bioactivity score in which two (1 & 3) mainly belongs to methanol extract and hydrogen bonding to the receptor also observed with these two component on molecular docking assessment. Conclusion: The crude extract of Pluchea Arabica was screened for antimicrobial evaluation and its components were subjected for calculation of computational parameters and molecular docking studies. Methanol extract of this is found to possess better antimicrobial potential than the n-hexane and the computational studies strongly supported the experimental results.

Keywords: Pluchea arabica extract, antimicrobial and computational studies.