Network pharmacology-based prediction of the active ingredients and potential targets of Chinese herbal Radix Curcumae formula for application to cardiovascular disease

Tao, Weiyang; Xue, Xu; Wang, Fengchao; Li, Bohui; Wang, Yonghua; Li, Yan; Yang, Ling

doi:10.1016/j.jep.2012.09.051

Cited by 520 publications

(353 citation statements)

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“…Compositive compounds of each herb contained in HLJDD Compositive compounds of each herb contained in HLJDD were obtained from a chemistry database [16] (http://www. organchem.csdb.cn/scdb/main/slogin.asp, updated on 2014-05-05) that is specifically designed to store chemical information, including chemical and crystal structures, spectra, reactions, syntheses, and thermophysical data.…”

Section: Data Preparationmentioning

confidence: 99%

“…This novel research field is involved in the application of omics-and systems biologybased technologies [15] . It determines the synergistic effects and the underlying mechanisms of multi-component and multi-target agents by analyzing various networks of complex and multi-level interactions [16,17] . There are two types of approaches in network pharmacology: (1) bottom-up: the addition of well-known molecular drugs and the observation of synergistic effects; and (2) top-down: the reduction of a more general formula to the minimal elements that maintain its beneficial properties [18,19] .…”

Section: Introductionmentioning

confidence: 99%

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Deciphering the pharmacological mechanism of the Chinese formula Huanglian-Jie-Du decoction in the treatment of ischemic stroke using a systems biology-based strategy

et al. 2015

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Aim: Huanglian-Jie-Du decoction (HLJDD) is an important multiherb remedy in TCM, which is recently demonstrated to be effective to treat ischemic stroke. Here, we aimed to investigate the pharmacological mechanisms of HLJDD in the treatment of ischemic stroke using systems biology approaches. Methods: Putative targets of HLJDD were predicted using MetaDrug. An interaction network of putative HLJDD targets and known therapeutic targets for the treatment of ischemic stroke was then constructed, and candidate HLJDD targets were identified by calculating topological features, including 'Degree', 'Node-betweenness', 'Closeness', and 'K-coreness'. The binding efficiencies of the candidate HLJDD targets with the corresponding compositive compounds were further validated by a molecular docking simulation. Results: A total of 809 putative targets were obtained for 168 compositive compounds in HLJDD. Additionally, 39 putative targets were common to all four herbs of HLJDD. Next, 49 major nodes were identified as candidate HLJDD targets due to their network topological importance. The enrichment analysis based on the Gene Ontology (GO) annotation system and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway demonstrated that candidate HLJDD targets were more frequently involved in G-protein-coupled receptor signaling pathways, neuroactive ligand-receptor interactions and gap junctions, which all played important roles in the progression of ischemic stroke. Finally, the molecular docking simulation showed that 170 pairs of chemical components and candidate HLJDD targets had strong binding efficiencies. Conclusion: This study has developed for the first time a comprehensive systems approach integrating drug target prediction, network analysis and molecular docking simulation to reveal the relationships between the herbs contained in HLJDD and their putative targets and ischemic stroke-related pathways.

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Section: Data Preparationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Deciphering the pharmacological mechanism of the Chinese formula Huanglian-Jie-Du decoction in the treatment of ischemic stroke using a systems biology-based strategy

et al. 2015

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“…Cardiovascular and cerebrovascular diseases (CCVD) together are major killers worldwide, and affect multiple organ systems causing dysfunction of the heart, brain, or blood vessels as a result of high blood pressure, atherosclerosis, heart enlargement, and easy blood clotting (Fuster and Bansilal, 2010;Tao et al, 2013). CCVD is a collective term to include cardiovascular diseases (CVD) and cerebrovascular diseases (CBVD); furthermore, CVD itself has a wide disease range including coronary artery disease, peripheral vascular disease, dyslipidemias, heart failure, arrhythmia, and myocardial infarction as well as hypertension (Lee and Kim, 2014).…”

Section: Introductionmentioning

confidence: 99%

“…On the other hand, CBVD triggers neurological deficit, including brain disorders related to cerebral vascularization such as ischemic stroke, cerebrovascular anomalies, transient ischemic stroke, and hemorrhagic stroke (Patyar et al, 2011). CCVD claims more than 17.3 million lives every year worldwide, and its incidence has seen a sharp 3-fold increase within the last decade in the United States (Fuster and Bansilal, 2010;Tao et al, 2013). Multiple-recognized environmental factors including dyslipidemia, hypertension, diabetes mellitus, obesity, alcohol use, lack of physical activity, poor diet, tobacco use, and air pollution are linked to a high risk of CCVD (Kim and Johnston, 2011;Turin et al, 2012;Belanger et al, 2014).…”

Section: Introductionmentioning

confidence: 99%

VKORC1 rs2359612 and rs9923231 polymorphisms correlate with high risks of cardiovascular and cerebrovascular diseases

Zhu

2015

Genet. Mol. Res.

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ABSTRACT. We aimed to confirm the correlations between rs2359612 and rs9923231 single nucleotide polymorphisms (SNPs) in the vitamin K epoxide reductase complex subunit 1 (VKORC1) gene and the risk of cardiovascular and cerebrovascular diseases (CCVDs) using metaanalysis. Electronic databases were exhaustively searched for relevant case-control studies by employing stringent inclusion and exclusion criteria. Manual retrieval was also conducted to obtain additional pertinent literature. The STATA statistical software was employed for the process of evidence synthesis. The initial literature search broadly identified 225 studies relevant to our topic of interest, and after multiple rounds of screening, 10 clinical case-control studies met the final inclusion criteria and were selected for this meta-analysis. The selected studies represented a combined total of 7329 patients with CCVD and 7951 healthy controls. Our meta-analysis demonstrated that the VKORC1 rs2359612 and rs9923231 SNPs were closely associated with high risk for CCVD (rs2359612: allelic: OR = 1.23, 95%CI = 1.00-1.50, P = 0.047; dominant: OR = 1.32, 95%CI = 1.19-1.46, P < 0.001; rs9923231: allelic: OR = 0.74, 95%CI = 0.63-0.87, P < 0.001; dominant: OR = 0.67, 95%CI = 0.55-0.82, P < 0.001). Our meta-analysis provides strong evidence that two SNPs in the VKORC1 gene, rs2359612 and rs9923231, contribute to the risk of CCVD.

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“…This in turn has facilitated the discovery of novel effective drugs. 7 In this review, we present an overview of systems pharmacology including its definition, characteristics, methods, and applications, as well as procedures to integrate it with current TCM research. Latest advances and application to CCVD are discussed to provide a new strategy to guide clinical studies, as well as to determine the risk of adverse drug effect for better treatment and control of complex diseases.…”

Section: Introductionmentioning

confidence: 99%

Systems pharmacology for traditional Chinese medicine with application to cardio-cerebrovascular diseases

Wang

Zhang

2014

Journal of Traditional Chinese Medical Sciences

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Identified as a treasure of natural herbal products, traditional Chinese medicine (TCM) has attracted extensive attention for their moderate treatment effect and lower side effect. Cardio-cerebrovascular diseases (CCVD) are a leading cause of death. TCM is used in China to prevent and treat CCVD. However, the complexity of TCM poses challenges in understanding the mechanisms of herbs at a systems-level, thus hampering the modernization and globalization of TCM. A novel model, termed traditional Chinese medicine systems pharmacology (TCMSP) analysis platform, which relies on the theory of systems pharmacology and integrates absorption, distribution, metabolism, excretion and toxicity (ADME/T) evaluation, target prediction and network/pathway analysis, was proposed to address these problems. Here, we review the development of systems pharmacology, the TCMSP approach and its applications in the investigations of CCVD and compare it with other methods. TCMSP assists in uncovering the mechanisms of action of herbal formulas used in treating CCVD. It can also be applied in ascertaining the different syndrome patterns of coronary artery disease, decoding the multi-scale mechanisms of herbs, and in understanding the mechanisms of herbal synergism. ª 2015 Beijing University of Chinese Medicine. Production and hosting by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/ by-nc-nd/4.0/).

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Network pharmacology-based prediction of the active ingredients and potential targets of Chinese herbal Radix Curcumae formula for application to cardiovascular disease

Cited by 520 publications

References 33 publications

Deciphering the pharmacological mechanism of the Chinese formula Huanglian-Jie-Du decoction in the treatment of ischemic stroke using a systems biology-based strategy

Deciphering the pharmacological mechanism of the Chinese formula Huanglian-Jie-Du decoction in the treatment of ischemic stroke using a systems biology-based strategy

VKORC1 rs2359612 and rs9923231 polymorphisms correlate with high risks of cardiovascular and cerebrovascular diseases

Systems pharmacology for traditional Chinese medicine with application to cardio-cerebrovascular diseases

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