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- W4384339903 abstract "Abstract Hepatocellular carcinoma is the fifth most prevalent cancer worldwide. The emergence of drug resistance and other adverse effects in available anticancer options are challenging to explore natural sources. The current study was designed to decipher the Arnebia nobilis ( A. nobilis ) extracts for detecting phytochemicals, in-vitro evaluation of antioxidative and cytotoxic potentials, and in-silico prediction of potent anticancer compounds. The phytochemical analysis revealed the presence of flavonoids, phenols, tannins, alkaloids, quinones, and cardiac glycosides, in the ethanol (ANE) and n-hexane (ANH) extracts of A. nobilis. ANH extract exhibited a better antioxidant potential to scavenge DPPH, nitric oxide and superoxide anion radicals than ANE extract, which showed better potential only against H 2 O 2 radicals. In 24 h treatment, ANH extract revealed higher cytotoxicity (IC 50 value: 22.77 µg/mL) than ANH extract (IC 50 value: 46.74 µg/mL) on cancer (HepG2) cells without intoxicating the normal (BHK) cells using MTT assay. A better apoptotic potential was observed in ANH extract (49.10%) compared to ANE extract (41.35%) on HepG2 cells using the annexin V/PI method. GCMS analysis of ANH extract identified 35 phytocompounds, from which only 14 bioactive compounds were selected for molecular docking based on druggability criteria and toxicity filters. Among the five top scorers, deoxyshikonin exhibited the best binding affinities of − 7.2, − 9.2, − 7.2 and − 9.2 kcal/mol against TNF-α, TGF-βR1, Bcl-2 and iNOS, respectively, followed by ethyl cholate and 2-Methyl-6-(4-methylphenyl)hept-2-en-4-one along with their desirable ADMET properties. The phytochemicals of ANH extract could be used as a promising drug candidate for liver cancer after further validations." @default.
- W4384339903 created "2023-07-15" @default.
- W4384339903 creator A5006588118 @default.
- W4384339903 creator A5051384303 @default.
- W4384339903 creator A5053277285 @default.
- W4384339903 creator A5053369303 @default.
- W4384339903 creator A5078764915 @default.
- W4384339903 creator A5082132465 @default.
- W4384339903 date "2023-07-14" @default.
- W4384339903 modified "2023-09-25" @default.
- W4384339903 title "Phytochemical profiling and cytotoxic potential of Arnebia nobilis root extracts against hepatocellular carcinoma using in-vitro and in-silico approaches" @default.
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- W4384339903 doi "https://doi.org/10.1038/s41598-023-38517-8" @default.