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 antioxidant and antibacterial efficacies of compounds isolated from the combined dichloromethane : methanol (1 : 1) and methanol extracts of along with the 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, 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, sitosterol (), 3-hydroxyisoagatholactone (), -viniferin (), myricetin (), tricuspidatol A (), and parthenocissin A (). The antibacterial activities revealed the highest inhibition zone by tricuspidatol A () (16.67 ± 0.47), showcasing its potent activity against at 2 mg/mL, compared to ciprofloxacin (21.50 ± 0.41). -Viniferin () (IC: 0.32 g/mL) exhibited greater antioxidant activity than the others and displayed promising results compared to ascorbic acid (0.075 g/mL). The molecular docking study revealed the highest binding affinity by viniferin () (-9.9 kcal/mol) against topoisomerase II 3-Hydroxyisoagatholactone () and -viniferin () 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 and outcomes suggest the potential use of the isolated compounds in drug discovery and support the traditional relevance of .
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10937085 | PMC |
http://dx.doi.org/10.1155/2024/1679695 | DOI Listing |
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