TCM-ADMEpred: A novel strategy for poly-pharmacokinetics prediction of traditional Chinese medicine based on single constituent pharmacokinetics, structural similarity, and mathematical modeling

Authors: Wang P, Li K, Tao Y, Li D, Zhang Y, Xu H, Yang H
Publication: J Ethnopharmacol
Keywords: in silico pharmacokinetic prediction, TCM, UPLC-ESI-MS/MSS structural similarity
Software: MedChem Studio™

Abstract

Ethnopharmacological relevance
Yuanhu Zhitong prescription (YZP) is a commonly used and relatively simple clinical herb preparation recorded in the China Pharmacopoeia. It contains Corydalis yanhusuo (Chinese name, Yanhusuo [YH]) and Angelica dahurica (Hoffm.) (Chinese name, Baizhi [BZ]), and has a long history of use in traditional Chinese medicine (TCM) for the treatment of stomach pain, hypochondriac pain, headache, and dysmenorrhea.