Molecular docking and pharmacokinetic evaluations of curcumin-based scaffolds as MDM2-p53 inhibitors

Discover Chemistry., Journal Year: 2025, Volume and Issue: 2(1)

Published: March 24, 2025

Language: Английский

Antioxidant activity and selective cytotoxicity in HCT-116 and WI-38 cell lines of LC-MS/MS profiled extract from Capparis spinosa L

Frontiers in Chemistry, Journal Year: 2025, Volume and Issue: 13

Published: April 10, 2025

Capparis spinosa L. is significant among the family Capparidaceae for its survival and tolerance to dry environments. In this study, we evaluate antioxidant anticancer activities of extracts roots aerial parts Bioactive compounds, including phenolic acids flavonoids, in various ethyl acetate fractions from extracted parts, were identified using LC-MS/MS. Principal leaf constituents characterized included Rutin, Resveratrol, Astragalin, others. The (of fraction), leaves, screened activity DPPH, FRAP, ABTS, CUPRAC assays, as well cytotoxicity with MTT assay. samples evaluated Roots Rutin consistently exhibited strongest across all (IC50 = 0.06-0.36 mg/mL) excelling FRAP CUPRAC, 0.013 showing highest DPPH activity. contrast, Astragalin displayed weakest potential. For activity, assay revealed that Leaves 23.26 μg/mL) 34.65 most potent against HCT-116 cells, outperforming Nutlin 62.72 μg/mL), minimal toxicity normal WI-38 cells. These results highlight therapeutic potential strong agents. provide useful information concerning medicinal potentials L., particularly about cell line selectivity, relevance synthesis natural antioxidants.

Language: Английский

Synthesis, molecular docking, drug likeness, in silico toxicity and DFT studies of small molecules as p53-MDM2 interaction and COX-2 dual inhibitors

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140393 - 140393

Published: Oct. 1, 2024

Language: Английский