title: A systems biology-based approach to uncovering the molecular mechanisms underlying the effects of dragon's blood tablet in colitis, involving the integration of chemical analysis, ADME prediction, and network pharmacology.
abstract: Traditional Chinese medicine (TCM) is one of the oldest East Asian medical systems. The present study adopted a systems biology-based approach to provide new insights relating to the active constituents and molecular mechanisms underlying the effects of dragon's blood (DB) tablets for the treatment of colitis. This study integrated chemical analysis, prediction of absorption, distribution, metabolism, and excretion (ADME), and network pharmacology. Firstly, a rapid, reliable, and accurate ultra-performance liquid chromatography-electrospray ionization-tandem mass spectrometry method was employed to identify 48 components of DB tablets. In silico prediction of the passive absorption of these compounds, based on Caco-2 cell permeability, and their P450 metabolism enabled the identification of 22 potentially absorbed components and 8 metabolites. Finally, networks were constructed to analyze interactions between these DB components/metabolites absorbed and their putative targets, and between the putative DB targets and known therapeutic targets for colitis. This study provided a great opportunity to deepen the understanding of the complex pharmacological mechanisms underlying the effects of DB in colitis treatment.
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China; National resource center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China.
authors: Haiyu
authors: H
authors: Xu
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China.
authors: Yanqiong
authors: Y
authors: Zhang
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China; Beijing University of Chinese Medicine, Beijing, P.R. China.
authors: Yun
authors: Y
authors: Lei
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China; Tianjin University of Traditional Chinese Medicine, Tianjin, P.R. China.
authors: Xiumei
authors: X
authors: Gao
authors: Beijing University of Chinese Medicine, Beijing, P.R. China.
authors: Huaqiang
authors: H
authors: Zhai
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China.
authors: Na
authors: N
authors: Lin
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China.
authors: Shihuan
authors: S
authors: Tang
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China.
authors: Rixin
authors: R
authors: Liang
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China.
authors: Yan
authors: Y
authors: Ma
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China.
authors: Defeng
authors: D
authors: Li
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China.
authors: Yi
authors: Y
authors: Zhang
authors: Yunnan Datang Hanfang Pharmacy co.ltd, Yunnan, P.R. China.
authors: Guangrong
authors: G
authors: Zhu
authors: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China.
authors: Hongjun
authors: H
authors: Yang
authors: National resource center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, P.R. China.
authors: Luqi
authors: L
authors: Huang
mesh_terms: D003092:Colitis / Q000628:therapy*; D006801:Humans; D008516:Medicine, Chinese Traditional; D021241:Spectrometry, Mass, Electrospray Ionization; D049490:Systems Biology; D053719:Tandem Mass Spectrometry