Antibacterial and Antioxidant Efficacies of Secondary Metabolites from the Roots of Cyphostemma adenocaule : A Combined In Vitro and In Silico Study.

Autor: Gebrehiwot H; Department of Applied Chemistry, Adama Science and Technology University, P.O. Box 1888, Adama, Ethiopia., Melaku Y; Department of Applied Chemistry, Adama Science and Technology University, P.O. Box 1888, Adama, Ethiopia., Aliye M; Department of Applied Chemistry, Adama Science and Technology University, P.O. Box 1888, Adama, Ethiopia., Ensermu U; Department of Applied Biology, Adama Science and Technology University, P.O. Box 1888, Adama, Ethiopia., Dekebo A; Department of Applied Chemistry, Adama Science and Technology University, P.O. Box 1888, Adama, Ethiopia.; Institute of Pharmaceutical Sciences, Adama Science and Technology University, P.O. Box 1888, Adama, Ethiopia., Endale M; Traditional and Modern Medicine Research and Development Directorate, Armauer Hansen Research Institute, P.O. Box 1242, Addis Ababa, Ethiopia., Rentsch D; Laboratory for Functional Polymers, Empa, Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, Dübendorf 8600, Switzerland., Hunsen M; Department of Chemistry, Kenyon College, Gambier, OH 43022, USA.
Jazyk: angličtina
Zdroj: Journal of tropical medicine [J Trop Med] 2024 Mar 06; Vol. 2024, pp. 1679695. Date of Electronic Publication: 2024 Mar 06 (Print Publication: 2024).
DOI: 10.1155/2024/1679695
Abstrakt: Cyphostemma adenocaule is a therapeutic plant traditionally used to treat rabies, snake bite, diarrhea, and wound healing. To address the bioactive compounds exhibiting these activities, we performed a comprehensive study on the roots of the plant. Thus, the present study aims to inspect the in vitro antioxidant and antibacterial efficacies of compounds isolated from the combined dichloromethane : methanol (1 : 1) and methanol extracts of C. adenocaule along with the in silico study of their interaction with selected protein targets. The silica gel column chromatography technique was used for the isolation of compounds, and the antibacterial and antioxidant activities were evaluated using agar disc diffusion and DPPH radical scavenging assays, respectively. Furthermore, in silico molecular docking screening, pharmacokinetics, and toxicity protocols of the compound isolates were performed to offer the potential applications of the compounds in developing novel medications. A BIOVIA Discovery Studio in combination with AutoDock Vina 4.2 software, SwissADME, and ProTox-II prediction web tools were used to generate the molecular docking, pharmacokinetics, and toxicity profiles, respectively. Notably, the chromatographic separation of the combined extracts yielded six known compounds, namely, β- sitosterol ( 1 ), 3-hydroxyisoagatholactone ( 2 ), ε -viniferin ( 3 ), myricetin ( 4 ), tricuspidatol A ( 5 ), and parthenocissin A ( 6 ). The in vitro antibacterial activities revealed the highest inhibition zone by tricuspidatol A ( 5 ) (16.67 ± 0.47), showcasing its potent activity against S. aureus at 2 mg/mL, compared to ciprofloxacin (21.50 ± 0.41). ε -Viniferin ( 3 ) (IC 50 : 0.32  μ g/mL) exhibited greater antioxidant activity than the others and displayed promising results compared to ascorbic acid (0.075  μ g/mL). The molecular docking study revealed the highest binding affinity by ε- viniferin ( 3 ) (-9.9 kcal/mol) against topoisomerase II α. 3-Hydroxyisoagatholactone ( 2 ) and ε -viniferin ( 3 ) fulfilled Lipinski's rule with no violation, and the organ toxicity predictions revealed that all the compounds showed no cytotoxicity and hepatotoxicity effects. Thus, this study's combined in vitro and in silico outcomes suggest the potential use of the isolated compounds in drug discovery and support the traditional relevance of C. adenocaule .
Competing Interests: The authors declare that they have no conflicts of interest.
(Copyright © 2024 Hadush Gebrehiwot et al.)
Databáze: MEDLINE
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