Nonalcoholic fatty liver disease (NAFLD), is a chronic metabolic disorder that highly correlated with oxidative stress. Shunghuanglian (SHL) is a traditional Chinese medicine for anti-inflammatory, anti-bacteria and anti-virus. Through network pharmacology approach, we obtain the possible correlation between NAFLD and SHL via ethyl linolenate, mandenol and onjixanthone I, which are active molecular in SHL, to target PPARα. Molecular docking have verified the correctness of above results that all conformational docking models of molecules satisfy the properties that LibDockScore is greater than 100 and binding energy is within the range of -30kCal/mol. As a nuclear receptor, the structure of the 12th helix in PPARα's ligand-binding domain is crucial, and we put our computed result about active molecular and PPARα's active residue on the picture.

Ethyl linolenate, mandenol and onjixanthone I : A study from network pharmacology to medicinal structure on Shuanghuanglian's anti-NAFLD mechanism via PPARα

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