CHEMICAL, ANTIOXIDANT AND ANTIBACTERIAL STUDIES OF Monodora myristica SEED EXTRACT AND MOLECULAR DOCKING OF THE PROMINENT COMPOUNDS

Abstract

Petroleum ether extract of the seed endosperms of Monodora myristica was subjected to GC/MS analysis and twelve compounds were identified. The compounds were classified as fatty acids (38.897 %), terpenes and terpenoids (29.133 %), salicyclohydrazine (19.626 %), carboxylic acid (8.124 %) flavonoid (2.352 %), benzoic acid ester (1.166 %), and phenolic compound (0.700 %). The extract showed significant antioxidant activities of 72.51 and 96.22 % at minimum and maximum concentrations of 25 and 400 ?g/ml, respectively. The antioxidant activity results obtained are comparable to that of vitamin C used as a standard antioxidant agent. The extract also showed antibacterial potency against five strains of bacteria organisms which included Escherichia coli (gram-negative), Klebsiella pneumoniae (gram-negative), Shigella flexneri (gram-negative), Streptococcus pneumonia (gram-positive) and Staphylococcus epidermidis (gram-positive). The highest inhibition was shown against S. flexneri while the lowest inhibition was against S. pneumoniae. Gentamicin was used as a standard antibacterial agent and the results showed the extract to be far more efficacious than gentamicin against the bacteria organisms tested. The extract of the seeds of M. myristica could be used as antioxidant and antibacterial agent for the treatment of diseases caused by these pathogens as well as diseases mediated by free radicals. Molecular docking simulation showed that all the test compounds gave negative binding affinities which indicated that they were successfully docked to the receptors. The compounds' in-silicoADME and drug-likeness predictions demonstrated good pharmacokinetic characteristics, including high blood-brain barrier absorption, oral bioavailability, and water solubility. The results of this study make these compounds much more relevant as viable lead prospects for treating bacteria that are resistant to several drugs. This could aid medicinal chemists and other pharmaceutical specialists in developing and synthesising even more effective drug candidates.