Screening active ingredients of traditional Chinese medicine by molecular docking technology and evaluating their reduce skin photoaging activities

Abstract ABSTRACTST Objective: Screening active ingredients of traditional Chinese medicine by molecular docking technology and evaluating their anti-skin photoaging activities. Methods: According to the verification results of molecular docking, the five active ingredients are combined in equal proportion to form a compound drug. In HaCaT photoaging model, the effects of the compound drug on antioxidant, inflammatory factors of NF-κB pathway and cytokines of MAPK pathway were studied by SOD and MDA kits, DCFH-DA fluorescent probe and ELISA assays, respectively. In skin photoaging model, the effects of the compound drug on antioxidant, SASP factors of NF-κB and MAPK pathway were studied by SOD kit, MDA kit, CAT kit and ELISA assays, respectively. Results: The results showed that the compound drug increased SOD activity, decreased MDA content and intracellular ROS, inhibited IL-6 of NF-κB pathway, and inhibited MMP-1 and collagen I of MAPK pathway. The results of HE, Masson and Victoria blue skin staining showed that the compound drug inhibited abnormal thickening of the epidermis, abnormal breaking and accumulation of collagen fibers and elastic fibers, and maintained their orderly arrangement. Meanwhile, the results showed that the compound drug increased SOD and CAT activity, inhibited MDA content, inhibited SASP factors IL-6 and TNF-α of NF-κB pathway, and inhibited SASP factors MMP-1 and collagen I of MAPK pathway. Conclusion: The above results indicate that the active ingredients of the compound drug screened by molecular docking have the potential to reduce skin photoaging.