Integrating UPLC-Q-TOF-MS and Network Pharmacology to Explore the Potential Mechanisms of Pall. in the Treatment of Blood Stasis Syndrome

Overview

Journal Molecules

Publisher MDPI

Specialty Biology

Date 2024 Jul 13

PMID 38998977

Authors

Mengzhen Ma

Qianqian Du

Suying Shi

Jiahui Lv

Wei Zhang

Dezhu Ge

Lihua Xing

Nianjun Yu

Affiliations

Soon will be listed here.

Abstract

Pall. (PLP) is thought to promote blood circulation and remove blood stasis. This study used blood component analysis, network pharmacology, and molecular docking to predict the mechanism of PLP in the treatment of blood stasis syndrome (BSS). PLP was processed into Alba (PRA) and Rubra (PRR). PRA and PRR could significantly reduce whole blood viscosity (WBV) at 1/s shear rates and could increase the erythrocyte aggregation index (EAI), plasma viscosity (PV), and erythrocyte sedimentation rate (ESR) of rats with acute blood stasis. They prolonged the prothrombin time (PT), and PRR prolonged the activated partial thromboplastin time (APTT). PRA and PRR increased the thrombin time (TT) and decreased the fibrinogen (FBG) content. All the results were significant ( < 0.05). Ten components of Paeoniflorin, Albiflorin, Paeonin C, and others were identified in the plasma of rats using ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). A protein-protein interaction network (PPI) analysis showed that AKT1, EGFR, SRC, MAPK14, NOS3, and KDR were key targets of PLP in the treatment of BSS, and the molecular docking results further verified this. This study indicated that PLP improves BSS in multiple ways and that the potential pharmacological mechanisms may be related to angiogenesis, vasoconstriction and relaxation, coagulation, and the migration and proliferation of vascular cells.

Citing Articles

Paeoniflorin Attenuates Limb Ischemia by Promoting Angiogenesis Through ERα/ROCK-2 Pathway.

Li M, Wang Q, Zhu S, Sun W, Ren X, Xu Z Pharmaceuticals (Basel). 2025; 18(2).

PMID: 40006085 PMC: 11859641. DOI: 10.3390/ph18020272.

References

Kim S, Thiessen P, Bolton E, Chen J, Fu G, Gindulyte A . PubChem Substance and Compound databases. Nucleic Acids Res. 2015; 44(D1):D1202-13. PMC: 4702940. DOI: 10.1093/nar/gkv951. View

Shibuya M . Vascular endothelial growth factor and its receptor system: physiological functions in angiogenesis and pathological roles in various diseases. J Biochem. 2012; 153(1):13-9. PMC: 3528006. DOI: 10.1093/jb/mvs136. View

Ma F, Xue P, Wang Y, Wang Y, Xue S . [Research progress of serum pharmacochemistry of traditional Chinese medicine]. Zhongguo Zhong Yao Za Zhi. 2017; 42(7):1265-1270. DOI: 10.19540/j.cnki.cjcmm.20170224.010. View

Zhang L, Sheng F, He Y, Yang Y, Hu Y, Li W . Buxue Yimu Pills improve angiogenesis and blood flow in experimental zebrafish and rat models. J Ethnopharmacol. 2022; 289:115002. DOI: 10.1016/j.jep.2022.115002. View

Nicholson K, Anderson N . The protein kinase B/Akt signalling pathway in human malignancy. Cell Signal. 2002; 14(5):381-95. DOI: 10.1016/s0898-6568(01)00271-6. View

Hers I, Vincent E, Tavare J . Akt signalling in health and disease. Cell Signal. 2011; 23(10):1515-27. DOI: 10.1016/j.cellsig.2011.05.004. View

Wang J, Fu X, Jiang C, Yu L, Wang M, Han W . Bone marrow mononuclear cell transplantation promotes therapeutic angiogenesis via upregulation of the VEGF-VEGFR2 signaling pathway in a rat model of vascular dementia. Behav Brain Res. 2014; 265:171-80. PMC: 4000455. DOI: 10.1016/j.bbr.2014.02.033. View

Gaillard T . Evaluation of AutoDock and AutoDock Vina on the CASF-2013 Benchmark. J Chem Inf Model. 2018; 58(8):1697-1706. DOI: 10.1021/acs.jcim.8b00312. View

Kanehisa M, Goto S . KEGG: kyoto encyclopedia of genes and genomes. Nucleic Acids Res. 1999; 28(1):27-30. PMC: 102409. DOI: 10.1093/nar/28.1.27. View

10.

Meng Y, Zhang C, Liang L, Wei L, Wang H, Zhou F . Identification of Potential Key Genes Involved in the Carotid Atherosclerosis. Clin Interv Aging. 2021; 16:1071-1084. PMC: 8203271. DOI: 10.2147/CIA.S312941. View

11.

Huang H, Wu J, Lu R, Liu X, Chin B, Zhu H . Dynamic urinary metabolomics analysis based on UHPLC-Q-TOF/MS to investigate the potential biomarkers of blood stasis syndrome and the effects of Danggui Sini decoction. J Pharm Biomed Anal. 2019; 179:112986. DOI: 10.1016/j.jpba.2019.112986. View

12.

Wang X, Shen Y, Wang S, Li S, Zhang W, Liu X . PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database. Nucleic Acids Res. 2017; 45(W1):W356-W360. PMC: 5793840. DOI: 10.1093/nar/gkx374. View

13.

Kong X, Liu C, Zhang Z, Cheng M, Mei Z, Li X . BATMAN-TCM 2.0: an enhanced integrative database for known and predicted interactions between traditional Chinese medicine ingredients and target proteins. Nucleic Acids Res. 2023; 52(D1):D1110-D1120. PMC: 10767940. DOI: 10.1093/nar/gkad926. View

14.

Belotti D, Paganoni P, Manenti L, Garofalo A, Marchini S, Taraboletti G . Matrix metalloproteinases (MMP9 and MMP2) induce the release of vascular endothelial growth factor (VEGF) by ovarian carcinoma cells: implications for ascites formation. Cancer Res. 2003; 63(17):5224-9. View

15.

Assenov Y, Ramirez F, Schelhorn S, Lengauer T, Albrecht M . Computing topological parameters of biological networks. Bioinformatics. 2007; 24(2):282-4. DOI: 10.1093/bioinformatics/btm554. View

16.

Janssens S, Shimouchi A, Quertermous T, Bloch D, Bloch K . Cloning and expression of a cDNA encoding human endothelium-derived relaxing factor/nitric oxide synthase. J Biol Chem. 1992; 267(21):14519-22. View

17.

Ferreira L, Dos Santos R, Oliva G, Andricopulo A . Molecular docking and structure-based drug design strategies. Molecules. 2015; 20(7):13384-421. PMC: 6332083. DOI: 10.3390/molecules200713384. View

18.

Foley J . Examining coagulation-complement crosstalk: complement activation and thrombosis. Thromb Res. 2016; 141 Suppl 2:S50-4. DOI: 10.1016/S0049-3848(16)30365-6. View

19.

Milburn C, Deak M, Kelly S, Price N, Alessi D, van Aalten D . Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change. Biochem J. 2003; 375(Pt 3):531-8. PMC: 1223737. DOI: 10.1042/BJ20031229. View

20.

Conway E . Complement-coagulation connections. Blood Coagul Fibrinolysis. 2018; 29(3):243-251. DOI: 10.1097/MBC.0000000000000720. View