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Article Abstract
: The present study investigated the anticancer potential of Willd. against triple-negative breast cancer (TNBC) using a combined in silico and in vitro approach. : Network pharmacology identified 115 potential targets shared between phytochemicals and TNBC, highlighting key cancer-related pathways. Molecular docking predicted strong binding affinities between specific phytochemicals (beta-sitosterol, quercetin, and others) and crucial TNBC targets, including AKT1 and ERBB2. : Molecular dynamics simulations validated these interactions, demonstrating stable complex formation. In vitro, crude extracts exhibited potent anticancer activity against MDA-MB-231 TNBC cells, showing a dose-dependent reduction in viability (IC = 90.44 μg/mL), induction of G1 phase cell cycle arrest, and significant early apoptosis. : These integrated findings provide compelling evidence for the anticancer potential of against TNBC, suggesting its promise for further development as a therapeutic strategy.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11944961 | PMC |
| http://dx.doi.org/10.3390/ph18030433 | DOI Listing |
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