Antimicrobial Activity and Molecular Docking Studies of a Sesquiterpenoid Alcohol from Leaf Solvent Extracts of Juniperus communis L.

Abstract

Aim: The present investigations were focused on isolation, characterization and antimicrobial evaluation and molecular docking of phytocompounds from Juniperus communis. Materials and Methods: α-Cadinol together with several other phytocompounds such as α-pinene, β-pinene, decanal, and α-terpineol were isolated from leaves of J. communis L using Soxhlet extraction with petroleum ether, ethanol, methanol, and aqueous solvents and identified through gas chromatography-mass spectrometry were then evaluated for the antimicrobial potential against Bacillus subtilis and Escherichia coli under in vitro conditions at different concentrations, namely 20, 40, 80, 100, 200, and 300 ppm. Furthermore, molecular docking analysis of α-Cadinol was performed against common antibiotic drug target proteins, namely penicillin-binding protein 2X (PBP), DNA gyrase Subunit B and topoisomerase IV using AutoDock4 (version 4.2) with the Lamarckian genetic algorithm. Results: Among these, maximum growth inhibition was observed at 300 ppm. Docking studies proclaim that α-Cadinol, a current phytochemical of J. communis L., has the most elevated wellness (fitness) score and more specificity toward the PBP than other protein targets and the bioactivity might be a result of these compounds exhibited in leaf extracts.