茶から外用薬へ:機械学習とバイオインフォマティクスがくうじん茶の抗UV成分とメカニズムを明らかにする
Jing Huang1,2,3,4, Mingzhi Zhang5, Xiangling Qin1,2,3,4
1Institute of Chinese Medicine, Zhuang and Yao Medicine, Guangxi University of Chinese Medicine, Nanning 530200, China.
Abstract:
Objectives: KU DING tea is a traditional Chinese herbal tea traditionally used topically for inflammation. This study aimed to investigate its potential anti-UV effects. Methods: The chemical components of KU DING tea were identified using UHPLC-Q-TOF-MS. Permeability prediction was performed to assess transdermal potential. A machine learning was applied to predict anti-UV activity, and network pharmacology analysis was used to explore the potential mechanism of action. Result: A total of 76 chemical components were identified, with 21 predicted to have good transdermal potential. A machine learning Random Forest (RF) model (accuracy 0.84, F1 0.84, AUC 0.93) predicted components like salicylic acid and methyl salicylate likely possess significant anti-UV activity. Network pharmacology indicated the mechanism may involve targets MAPK14 and NFKB1, influencing the AGE-RAGE signaling pathway. Conclusions: KU DING tea is a promising natural and safe anti-UV agent, deserving further experimental validation.
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