{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["15(1)"],"submitter":["Deng R"],"pubmed_abstract":["Skin pigmentation disorders involve complex biological regulation, with tyrosinase (TYR) and melanocortin 1 receptor (MC1R) serving as key therapeutic targets. Through molecular docking screening of 389 natural compounds, we identified isorhamnetin-3-O-neohespeidoside as a potent dual inhibitor, demonstrating superior binding affinities (-8.001 kcal/mol for TYR and - 7.342 kcal/mol for MC1R) compared to arbutin (reference compound). Subsequent in vitro validation revealed that isorhamnetin-3-O-neohespeidoside (8 µM) significantly inhibited TYR activity by 44.42% (p < 0.0001) and reduced MC1R expression by 33.39% (p < 0.0001) in B16 melanoma cells, while maintaining > 85% cell viability (IC<sub>50</sub> = 52.22 µM). The compound also decreased melanin content by 38.7% (p < 0.0001) and upreg"],"journal":["Scientific reports"],"pagination":["30689"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12371102"],"repository":["biostudies-literature"],"pubmed_title":["Natural dual inhibitor isorhamnetin-3-O-neohespeidoside targets tyrosinase and MC1R for skin pigmentation management."],"pmcid":["PMC12371102"],"pubmed_authors":["Deng R","Shen Z","Ou Z","Huang G","Zheng S","Xie S"],"additional_accession":[]},"is_claimable":false,"name":"Natural dual inhibitor isorhamnetin-3-O-neohespeidoside targets tyrosinase and MC1R for skin pigmentation management.","description":"Skin pigmentation disorders involve complex biological regulation, with tyrosinase (TYR) and melanocortin 1 receptor (MC1R) serving as key therapeutic targets. Through molecular docking screening of 389 natural compounds, we identified isorhamnetin-3-O-neohespeidoside as a potent dual inhibitor, demonstrating superior binding affinities (-8.001 kcal/mol for TYR and - 7.342 kcal/mol for MC1R) compared to arbutin (reference compound). Subsequent in vitro validation revealed that isorhamnetin-3-O-neohespeidoside (8 µM) significantly inhibited TYR activity by 44.42% (p < 0.0001) and reduced MC1R expression by 33.39% (p < 0.0001) in B16 melanoma cells, while maintaining > 85% cell viability (IC<sub>50</sub> = 52.22 µM). The compound also decreased melanin content by 38.7% (p < 0.0001) and upreg","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Aug","modification":"2026-07-15T05:58:15.364Z","creation":"2026-06-30T03:16:17.08Z"},"accession":"S-EPMC12371102","cross_references":{"pubmed":["40841385"],"doi":["10.1038/s41598-025-08485-2"]}}