| Abstrakt: |
Curculigo latifolia Dryand. Ex W. T. Alton is a plant reported to have antioxidant and anti-aging activities. Studies have shown the interaction of compounds from this plant with target proteins associated with antiaging in silico. This study therefore examines the in silico antiaging activity of selected compounds from Curculigo latifolia using unreported target proteins, including elastase, TNF-alpha, and Tyrosinase. Antiaging activity screening of these compounds was carried out in silico using AutoDock 14.0 software. A total of forty-six (46) compounds were successfully docked with each target protein. The results showed that the test compounds from C. latifolia have good interactions with the target proteins as indicated by their negative binding free energy values. Only a few of the test compounds had the most negative binding free energy values and interacted with the target proteins in a similar fashion as the native ligands. Compounds 4 (mundulone), 11 (orcinol glucoside), 12 (orcinol glucoside B), 14 (curculigoside B), 15 (curculigoside C), 23 (5,2,6-Trihydroxy-7,8 dimethoxyflavone-2-O-β-D-glucoside), 29 (aviprin), 30 (guaiacol), 34 (quercetin), 38 (monobenzone) and 42 (stigmastan-3,6-dione) were shown to have an inhibitory effect on one target protein, while, compounds 2 (pomiferin) and 40 (frangulin B) were predicted to interact with multitarget proteins. Compounds 2 and 40 tend to fulfill the Lipinski rule, pharmacokinetics, and toxicity requirements in silico and therefore could be developed for their potential use as antiaging molecules. [ABSTRACT FROM AUTHOR] |
