Antibacterial Activity of the Root Extracts of Garcinia Kola Against MDR Staphylococcus Aureus : Invitro and Insilico Studies

Abstract

<p>MDR <b><i>Staphylococcus aureus</i></b> is an important bacteria with clinical and economic implication. Plants including Garcinia kola provides bioactive principles with diverse structural and biological features.. The n-Butanol fraction of <i>G.kola</i> root extract recorded the highest activity against MDR staph aureus (18.50±0.41) compared to the chloroform (10.00±2.12) and methanol (8.166±0.62) extarct, with no activity recorded with the n-Hexane extract. Analysis of this fraction on GC-MS recorded 14 phytoconstituents with varying structural composition; containing important scaffolds & motifs of benzoquinone, <a href="https://pubchem.ncbi.nlm.nih.gov/compound/imidazo[1,2-a]pyridine">imidazo[1,2-a]pyridine</a>, Chlorocarbazole and azetidine that present key pharmaceuticals as antibiotic and for drug development. Further inslico molecular docking studies of these compounds on antibacterial drug target; Tyrosyl-tRNA synthetase (PDB 1JIJ) from MDR staph aureus was documented. 9 compounds (CID_619544, CID_619583, CID_5732, CID_616643, CID_622021, CID_ 616496, CID_590350, CID_16486 and CID_66747) had good binding scores ranging from -4.63 to -7.08 kcal/mol; with CID_590350 having the highest score. The compounds formed various bonding with the 1JIJ amino acid residues including H-bond, van der waal and π interactions. CID_16486 and CID_66747 bind to the most active binding pocket (Drug score: 0.82 &0.72) while CID_619583 tend to bind outside the active binding pocket. They also have good pharmacokinetic and toxicity profile. Therefore, these compounds are considered as suitable prospective antibiotics against MDR <b><i>Staphylococcus aureus</i></b> after successful <i>invitro</i> and <i>insilico</i> experimental validation.<b></b></p>