LI Xiao-yan, DONG Shu, WEI Bin, et al. Chinese Herbal Medicine Compound-Target-Disease Network Analysis and Effective Mechanisms Prediction of Liuwei Dihuangtang[J]. Chinese journal of experimental traditional medical formulae, 2017, 23(5): 189-195.
DOI:
LI Xiao-yan, DONG Shu, WEI Bin, et al. Chinese Herbal Medicine Compound-Target-Disease Network Analysis and Effective Mechanisms Prediction of Liuwei Dihuangtang[J]. Chinese journal of experimental traditional medical formulae, 2017, 23(5): 189-195. DOI: 10.13422/j.cnki.syfjx.2017050189.
Chinese Herbal Medicine Compound-Target-Disease Network Analysis and Effective Mechanisms Prediction of Liuwei Dihuangtang
therapy targets of Liuwei Dihuangtang (LWDHT) as well as possible diseases
and explore the molecular mechanism of its compatibility and its efficacy on diseases under the guidance of ‘treating different diseases with the same method’.Method: Oral bioavailability (OB) and drug-likeness (DL) based on TCMSP database were used to screen the active compounds of LWDHT and its related diseases. Therapy targets were obtained from the Drugbank database
and then the Chinese herbal medicine (CHM) compound-targets-disease network was constructed by using cytoscape software. The network topology analysis
target function and signaling pathway analysis were also performed.Result: The 42 of 507 compounds in LWDHT were screened out (OB≥30%
drug-likeness index≥0.18).The 221 related targets were found and 9 categories of diseases involving 56 diseases were enriched
among which tumor
cardiovascular and respiratory diseases were most closely correlated with the formula. The compatibility of LWDHT
‘Sanbu’ with reinforcing effect and ‘Sanbu’ with reducing effect can regulate cellular apoptosis
metabolism
proliferation
and vascular smooth muscle contraction. Besides
LWDHT also can regulate protein synthesis modification and secretion. The ‘Sanbu’ with reinforcing effect can regulate transmembrane transport activity of ion
blood pressure
the metabolic process of prostaglandin and retinoic acid. The ‘Sanbu’ with reducing effect can regulate cell signaling and biosynthetic process.Conclusion: In this study
42 compounds were screened out as the potential effective compounds of LWDHT
and 221 targets and 56 diseases were predicted to be associated with the formula. The compatibility of ‘Sanbu’ and ‘Sanbu’ made 1+1>2 synergistic effect mechanism. LWDHT owned multiple targets and multiple pathways to treat various diseases under the guidance of ‘treating different diseases with the same method’.