PDF(Pubmed)
Abstract：
Melanin, the pigment responsible for human skin color, increases susceptibility to UV radiation, leading to excessive melanin production and hyperpigmentation disorders. This study investigated the ethanolic extract of Garcinia atroviridis fruits for its phenolic and flavonoid contents, antioxidant activity, and impact on melanogenesis pathways using qRT-PCR and Western blot analysis. Utilizing network pharmacology, molecular docking, and dynamics simulations, researchers explored G. atroviridis fruit extract\'s active compounds, targets, and pharmacological effects on hyperpigmentation. G. atroviridis fruit extract exhibited antioxidant properties, scavenging DPPH• and ABTS•+ radicals radicals and chelating copper. It inhibited cellular tyrosinase activity and melanin content in stimulated B16F10 cells, downregulating TYR, TRP-1, phosphorylated CREB, CREB, and MITF proteins along with transcription levels of MITF, TYR, and TRP-2. LC-MS analysis identified thirty-three metabolites, with seventeen compounds selected for further investigation. Network pharmacology revealed 41 hyperpigmentation-associated genes and identified significant GO terms and KEGG pathways, including cancer-related pathways. Kaempferol-3-O-α-L-rhamnoside exhibited high binding affinity against MAPK3/ERK1, potentially regulating melanogenesis by inhibiting tyrosinase activity. Stable ligand-protein interactions in molecular dynamics simulations supported these findings. Overall, this study suggests that the ethanolic extract of G. atroviridis fruits possesses significant antioxidant, tyrosinase inhibitory, and anti-melanogenic properties mediated through key molecular targets and pathways.
摘要：
黑色素,负责人类肤色的色素，增加对紫外线辐射的敏感性，导致黑色素过度生成和色素沉着失调。本研究调查了藤黄果乙醇提取物的酚类和类黄酮含量，抗氧化活性，以及使用qRT-PCR和Westernblot分析对黑素生成途径的影响。利用网络药理学，分子对接,和动力学模拟，研究人员探索了G.atroviridis果实提取物的活性化合物，目标,和对色素沉着过度的药理作用。G.atroviridis果实提取物表现出抗氧化特性，清除DPPH·和ABTS·+自由基和螯合铜。它抑制细胞酪氨酸酶活性和黑色素含量在刺激的B16F10细胞，下调TYR,TRP-1，磷酸化CREB，CREB,和MITF蛋白以及MITF的转录水平，TYR,和TRP-2。LC-MS分析鉴定出33种代谢物，选择17种化合物进行进一步研究。网络药理学揭示了41个色素沉着过度相关基因，并确定了重要的GO术语和KEGG通路，包括癌症相关途径。山奈酚-3-O-α-L-鼠李糖苷表现出对MAPK3/ERK1的高结合亲和力，可能通过抑制酪氨酸酶活性来调节黑素生成。分子动力学模拟中稳定的配体-蛋白质相互作用支持这些发现。总的来说,这项研究表明，G.atroviridis果实的乙醇提取物具有显著的抗氧化剂，酪氨酸酶抑制性，以及通过关键分子靶标和途径介导的抗黑色素生成特性。
