Investigating the therapeutic potential of Chromolaena odorata (Linnaeus) leaf extracts on bacteria from wound source; Structural guide-approach through docking study

Background: This study was designed to investigate the therapeutic potential of chromolaena odorata (linnaeus) leaf extracts on bacteria isolated from wound source. Methods: A total of 127 wound exudate samples were collected from the patients with chronic wound infections attending the federal medical centre, Owo, First Mercy hospital and university of medical teaching hospital, Akure, Ondo State, Nigeria, between November 2021 and January 2022. Questionnaires were served to each patient in order to obtain information about the wound. Morphological and biochemical characterization of bacteria were determined using standard microbiological methods. The c. odorata extract was subjected to soxhlet and maceration extraction methods. The solvents used were cold water, hot water, N-hexane and ethanol. Gas chromatography-mass spectrometry evaluation was carried out on the leaf extracts. The antibiotic susceptibility patterns of the isolates were determined by testing against antibiotics and extracts. Results: About 13 bioactive compounds were .observed in the ethanol extract of c. odorata. Quercetagin has the highest binding affinity at the protein site (enzymes) with scoring function of -8.89 kcal/mol, -7.853 kcal/mol and -10.491 kcal/mol in Staphylococcus aureus, Proteus mirabilis and Pseudomonas aeruginosa respectively. Conclusions: The antibacterial efficacy of leaf extracts of c. odorata depends on the interaction between the ligands and the receptor. The scoring function generates scores, depending on which the best fit ligand is selected