Flavonoids from Clitoria ternatea as Promising Therapeutic Agents against Ovarian Cancer
Abstract
Background Flavonoid-based natural products have shown promising anti-cancer potential through dual-pathway inhibition. The PI3K/AKT/mTOR signaling pathway is the most frequently altered pathway in ovarian cancer, making it a critical therapeutic target. Methods Extensive computational studies including molecular docking and 200 nanosecond molecular dynamics simulations were conducted to evaluate the binding affinity, interaction stability, and conformational dynamics of the PI3K (5DXT) and mTOR (5GPG) proteins. Following in-silico validation, naringin-coated zinc oxide nanoparticles incorporating Clitoria ternatea flower extract were formulated to enhance bioavailability and therapeutic efficacy. Additionally, cytotoxic evaluation against SKOV3 ovarian cancer cell lines using MTT assay was performed. Results This study investigated the efficacy of major flavonoid components from Clitoria ternatea flowers, specifically quercetin-3-rutinoside and quercetin-3,7-glucoside, as dual PI3K/mTOR inhibitors. Molecular dynamics analysis revealed that quercetin-3-rutinoside and quercetin-3,7-glucoside exhibited stable interactions with critical amino acid residues throughout the simulation period, promising enhanced stability compared with the standard dual inhibitor gedatolisib. Absorption, Distribution, Metabolism, and Excretion (ADME) profiling identified quercetin derivatives as promising lead hits, despite minor violations of Lipinski’s Rule of Five. Cytotoxic evaluation against…
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Evidence Hub reads this as a preprint, done in cell cultures (in vitro) and computer models (in silico), not in people. Its evidence level is 5 of 5 (Very low · case / narrative / animal / in vitro / in silico). Case reports, narrative reviews, and animal, cell or computer-model studies give the weakest evidence for human health.
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