ABSTRACT
Objective:To predict the potential molecular mechanism of Yangxue Antai Fang in treating prethrombolic state of recurrent spontaneous abortion (RSA-PTS). Method:The chemical constituents and drug targets of Yangxue Antai Fang were collected by Integrated Pharmacology-based Research Platform of Traditional Chinese Medicine (TCMIP V2.0). RSA-PTS disease target information was collected by TCMIP V2.0 and improved by Online Mendelian Inheritance in Man (OMIM) database. The interaction of these targets was analyzed and key target network was constructed. Gene ontology (GO) function and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were further performed. Finally, Cytoscape 3.5.1 was used to build up a multidimensional network of TCM-ingredient-target-pathway. The levels of absorption, distribution, metabolism, excretion and toxicity (ADMET) of the main components in the network were analyzed. Result:A total of 310 chemical constituents and 975 targets were collected from 8 TCMs in Yangxue Antai Fang. A total of 143 targets of RSA-PTS were obtained. A total of 243 core targets were obtained by the interrelationship analysis of drug and disease targets. The analysis of the top 100 core targets showed that these targets might participate in treating RSA-PTS by affecting biological processes related to thrombosis, such as blood coagulation, platelet activation, positive regulation of angiogenesis and so on. Pathway analysis showed that these targets were mainly concentrated in complement and coagulation cascades, platelet activation, estrogen signaling pathway, thyroid hormone signaling pathway, etc. Multidimensional network analysis in combination with ADMET level showed that 14 components (leonurine, paeonol, vanillin, and so on) may play a therapeutic role in RSA-PTS by affecting coagulation factors Ⅱ (F2), plasminogen (PLG) and estrogen receptor 1 (ESR1) proteins involved in complement and coagulation cascades, platelet activation, thyroid hormone signaling pathway and others. Conclusion:The main chemical constituents in Yangxue Antai Fang may improve RSA-PTS by regulating complement and coagulation cascades, blood coagulation, platelet activation and other biological processes.
ABSTRACT
Fifteen compounds were obtained from the twigs and leaves of Caesalpinia minax. Their structures were identified as apigenin (1), 5,7,3',4'- tetrahydroxy-3-methoxyflavone (2), luteolin-5, 3 '-dimethyl-ether (3), thevetiaflavon (4), apigenin-7-O-beta-D-glucuronide (5), bonducellin (6), 7-hydroxy-3-( 4-hydroxybenzylidene )-chroman-4-one (7), 3-deoxysappanchalcone (8), 5-acetonyl-7-hydroxy-2-methyl chromone (9), 4-(trans)-acetyl-3,6,8-trihydroxy-3-methyl-dihydronaphthalenone (10), 4-(cis)-acetyl-3,6,8-trihydroxy-3-methyl-dihydronaphthalenone (11), vanillic acid (12), omega-hydroxypropioquaiacone (13), syringaresinol (14) and uracil (15). All compounds were isolated from C. minax for the first time. Compounds 1-14 were phenolic compounds and compounds 1-5, 9-13 and 15 were isolated from the genus Caesalpinia for the first time.