Objective:To analyze the basis and medication rules of Chinese herbs in the regulation of necroptosis.Methods:With the help of GeneCards,DrugBank,TTD,DisGeNET,OMIM database to collect the action targets of necroptosis,the TCMSP database to obtain the target‑related compounds and Chinese herbs,and the ADME criteria and Lipinski rule as the conditions for screening,to build the target‑compound,target‑compound‑Chinese herbs network.The information of Chinese herbal medicine's sexual taste and meridian was collected,and the drug use pattern was analyzed.The information on the property,flavor and channel tropism of Chinese herbs was collected to analyze the medication laws.Molecular docking of core targets and compounds in the network with AutoDockTools software,and PyMOL software was used to display the combinations with good docking results.Results:A total of 12 potential targets acting on necroptosis were obtained,matching to 191 candidate compounds and 366 herbal medicines.Quercetin,wogonin,triptolide,licochalcone a,ellipticine are more important and may be the main small molecule substances underlying the regulation of necroptosis.The more important Chinese herbs are Licorice,Forsythia,Salivae Miltiorrhizae,Ginkgo Leaf,Eucommia ulmoides Oliv,etc.The herbal medicines are mainly bitter and pungent,with cold and warm taste,which were attributed to the liver and lung meridians.BCL2‑beta‑sitosterol、MAPK14‑luteolin、MAPK14‑formononetin、TP53‑formononetin are better molecular docking results,which have strong docking activity.Conclusion:The study systematically analyzes the material basis of regulating necroptosis and summarizes the general rule of regulating necroptosis in Chinese medicine,which provides ideas for clinical development of agents to interfere with necroptosis.
展开▼
机译：Data mining of Arabidopsis thaliana salt-response proteins based on bioinformatics analysis Guo Meili, Gao Weixi, Yu Xuejuan, Zhou Chunxi, Liu Fujun, Liu Xin Abstract
