Antimicrobial Properties of Distichochlamys citrea M.F. Newman Rhizome n‐Hexane Extract against Streptococcus pyogenes: Experimental Evidences and Computational Screening

Abstract

AbstractDistichochlamys citrea, an endemic plant species found only in Vietnam, traditionally known effective for internal inflammation and infection, thus considered as a promising natural antibiotic source. A variety of experimental‐computational methodologies were utilised. Gas chromatography‐mass spectrometry reveals twenty‐one bioactive components (C1‐C21) is found in the n‐hexan extract. Bioassays indicate its total antibiotic activity of high significance against Streptococcus pyogenes (IZD 14±2.0 mm; MIC value of 156.25 μg.mL−1). Docking simulation predicts C17 (DS −12.9 kcal.mol−1; RMSD 1.34 Å)>C14 (DS −12.3 kcal.mol−1; RMSD 1.58 Å)>C16 (DS −12.0 kcal.mol−1; RMSD 1.30 Å) as the most effective inhibitors towards S‐ribosylhomocysteine lyase structure (UniProtKB: P0C0C7). Quantitative structure‐activity relationships suggest all the compounds are predicted with high biocompatibility in reference for oral drug development, and specifiy C1‐C21 especially safe for use in vertebrates. The results preliminarily confirm the significant antibiotic activity of Distichochlamys citrea and encourage further in‐depth experiments in order to harness its pharmacological potentiality.