Antibacterial Screening of Chromolaena odorata Root Extracts and in silico Physico-chemical Properties of their Bioactive Compounds

Abstract

Bacterial infection constitutes global health challenges due to antimicrobial resistance prevalence, and the search for natural and potent antibacterial agents continues. This study aimed to evaluate the antibacterial activity Chromolaena odorata root aqueous and methanolic extracts, and to also predict in silico the physicochemical properties of their bioactive compounds. The plant roots were air-dried and ground into fine powder using mortar and pestle. The aqueous and methanolic extracts were prepared using the C. odorata root powder. The chemical composition of the two extracts was analyzed using gas chromatography-mass spectrometry (GC-MS) to identify their bioactive compounds. The physicochemical properties of the identified compounds were then predicted using the SwissADME server. Additionally, the antibacterial properties of the extracts were evaluated by testing their inhibitory effects on the growth of four bacterial species: Staphylococcus aureus, Escherichia coli, Klebsiella spp., and Salmonella spp. The aqueous and methanolic extracts of C. odorata roots showed 20 compounds having 10 peaks, and 19 compounds having 10 peaks respectively. This study's findings highlight two compounds from C. odorata roots with promising physicochemical properties, making them potential drug candidates: 1-dioxide-4-methyl-3-(4-methyl-1-piperzinyl) from the methanolic extract and 2,3-dihydroxylpropylelaidate from the aqueous extract. The methanolic extract demonstrated superior antibacterial activity against S. aureus, E. coli, and Salmonella spp., while the aqueous extract showed greater efficacy against Klebsiella spp. Although the targeted bacteria may develop resistance to these extracts, our results indicate that both extracts possess antibiotic properties, warranting further investigation.