Potential of clove stem essential oil (Syzygium aromaticum l.) As herbal medicine for antimicrobial resistance agents in livestock: GC-MS analysis and in silico study on safabl protein

Abstract

Methicillin-resistant Staphylococcus aureus (MRSA) cases in husbandry animals continue to increase. Antibiotic residues in livestock products are one of the causes of MRSA cases in humans. The use of natural antimicrobials is an alternative in livestock. Clove stem essential oil (Syzygium aromaticum L.) has been used conventionally as an antimicrobial. CSEO shows inhibitory action against MRSA. One of the mechanisms is inhibiting the SaFabl protein in the biosynthesis of lipid acids in the bacterial cell wall. This study aimed to analyze Sulawesi's CSEO (Zanzibar variety) content and predict its compounds' activity against SaFabl proteins. Samples were harvested and then hydrodistilled. GC-MS carried out compound analysis. All components of CSEO content were expected to have activity against SaFabl through docking simulations using Molegro Virtual Docker (MVD) version 5.5. The findings of this study indicate that CSEO from Sulawesi consists of three main components, namely eugenol, caryophyllene, and humulene. Meanwhile, one of the minor components is methyl 10,12-heptadecadiynoate. Docking validation has an RMSD value of 2.04+0.11. The docking results show that methyl 10,12-heptadecadiynoate is more active than chloramphenicol as a control drug, but lower than NADP as a native ligand. Methyl 10,12-heptadecadiynoate acts on the SaFabl protein by forming a hydrogen bond at the amino acid residue Val67 and two steric bonds at Val67 and Thr146. In conclusion, CSEO      can potentially be a herbal medicine candidate as an antimicrobial resistance agent in husbandry animals. Further in vitro and in vivo studies are needed to validate its antibacterial efficacy against microbial resistance.