Exploration on the mechanism of therapeutic and toxic bidirectional effects of Haizao Yuhu decoction based on machine learning and data mining

Objective:To explore the bidirectional mechanism of Haizao Yuhu decoction(HYD)on goiter and drug-induced liver injury(DILI)based on machine learning and data mining.Methods:Firstly,compounds of HYD were selected from the TCMSP,TCMIP,and BATMAN databases,then the TCMSP was used to acquire the targets of compounds.Targets of goiter and DILI were obtained from the GeneCards database.Secondly,common targets of“HYD-goiter”and“HYD-DILI”as well as related compounds were used to construct the networks and perform Random Walk with Restart(RWR)algorithm and network stability test.Finally,core targets in the“HYD-goiter”and“HYD-DILI”networks were used for molecular docking with core compounds and searched for validation on PubChem,and the relevant experimental data of our group were quoted to verify the analysis results.Results:There were 22 intersection targets of HYD and DILI,326 of HYD and goiter.RWR analysis showed that MAPK1,MAPK3,AKT1,etc.may be the core targets of HYD treating goiter,RELA,TNF,IL4,etc.may be the core targets of the bidirectional effect,and eckol may be the core compound in bidirectional effect.Network stability test indicated that the HYD had a high stability on treating goiter and playing a bidirectional effect.The core targets and core compounds docked well,and 37.3%of targets had been confirmed by experiments and 29.8%core targets had been confirmed.Our previous experimental result confirmed that the HYD could treat goiter usefully by reducing the expression levels of PI3K and AKT mRNA,and down-regulating the expression of Cyclin D1 and Bcl-2 mRNA.Conclusion:HYD containing“sargassum-liquorice”combination may have a bidirectional effect on treating goiter and causing DILI.We offered a new way for more explorations on the therapeutic and toxic bidirectional mechanisms based on machine learning and data mining.

Achievements of the Compendium Bencao Tujing(Illustrated Classic of Materia Medica):A Preliminary Study

Bencao Tujing(Illustrated Classic of Materia Medica)is a brilliant and monumental compendium of materia medica by Su Song,which was published in 1061 and gathered ancestral knowledge from the Song dynasty as a legacy for posterity.The compendium emphasized the clinical applications of medicinal materials collected nationwide,which used illustrated atlases as references.The descriptions for each medicinal material subsumed the prescriptions containing it and were supplemented with relevant medical cases.Medical prescriptions predating the Song dynasty were included,which enhanced the clinical usefulness of the pharmacopoeia.The ancestral knowledge of materia medica was extensively merged with natural history throughout the compendium,which also made extensive reference to more than 200 Chinese classics,local gazetteers,and published works from the social and natural sciences.The inclusion of natural history and literature works changed the convention used in earlier pharmacopoeias to present medicines based solely on pharmacological analyses.The compendium also pioneered the inclusion of natural history in pharmacopoeia.Bencao Tujing helped establish China’s leading position in the field of materia medica.Su Song’s meticulous nature,truth-seeking attitude,and adherence to scientific thinking are truly worthy of emulation and promotion.