Objective:This paper discusses the composition of prescription qualitative,quantitative design principles and methods based on herbal property combination,describing the method application in new prescription design.Method:Qualitative property-combination pattern(PP)calculation was based on bipartite graphing and performing a greedy algorithm which was designed to optimize obtaining a new herbal prescription.Quantitative PP calculation was based on the qualitative computation.To calculate the Euclidean distance for the PP of the new prescription,an optimized algorithm for solving the unknown minimum Euclidean distance was used with,the new weighted proportions.Finally,non-linear optimization software was used to find the minimum Euclidean distance.Results:Using the PP of classic prescription Large Yin-Nourishing Pill,applying quantitative PP calculation a new prescription was created.Mathematical algorithms based on property combinations of traditional Chinese herbs can be applied to identify compatibility and synergies of herbs within prescriptions,especially classic formulas.Conclusion:In silico methods can then be used to create new prescriptions or modify existing ones depending on need.This type of automated approach may increase efficiency in designing new drugs based on Chinese herbs.
Objective:To develop new therapeutic strategies for diabetes mellitus(DM)by analyzing the mechanisms of action of traditional Chinese medicine(TCM)'xiaoke'formulae(TCM prescriptions for remedying xiaoke).Methods:We characterized 291 xiaoke formulae,including the herbs contained,chemical composition,constituents'targets,and corresponding genes.Xiaoke-related genes were retrieved based on the relationships of constituents'targets and xiaoke formulae,and a threshold of over 95.88%occurrence of each constituent target in the 291 TCM formulae served as a definition for xiaoke-related genes.Upon comparison with DM-related genes in the DisGeNET database,the genes differing in expression between cases administered TCM and synthetic drugs were explored using a TCM grammar system.Results:The results showed that xiaoke formulae and 14 exclusively xiaoke-related genes were significantly associated with multiple biological processes closely related to DM and diabetic complications(P<.01).Moreover,intervention in the expression of these xiaoke-related genes would affect DM-related genes directly or indirectly.Conclusion:The 14 xiaoke-related genes APEX1,EHMT2,TSHR,CBX1,FEN1,GMNN,JUN,KMT2A,MAPT,POLl,USP1,PIN1,POLB,and POLK can serve as candidate genes for antidiabetic drug design.Compared with DM-related genes in DisGeNET,intervention in the expression of 14 xiaoke-related genes by TCM formulae has the potential to not only lower blood glucose,but also reduce the occurrence of some side effects and inhibit the development of diabetic complications.These findings will contribute to the discovery of new strategies for treating DM.
Qian ZhangRanfeng DuXucan HouZhaolei LvCongmin JiaYun Wang
