Herb-target interaction network analysis helps to disclose molecular mechanism of traditional Chinese medicine

Hao, Linlin; Ruan, Hao; Ouyang, Qi; Lai, Luhua

doi:10.1038/srep36767

Cited by 32 publications

(20 citation statements)

References 56 publications

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“…Docking methods offer suggestions of binding affinities for herbal compounds and targets [ 9 , 10 ]. Herb-based docking analysis can further suggest herb-target associations [ 11 – 13 ]. Systems biology, e.g., ordinary differential equations, can simulate the dynamics of a biological network with the treatment of herbal medicine [ 11 – 13 ].…”

Section: Introductionmentioning

confidence: 99%

Associating 197 Chinese herbal medicine with drug targets and diseases using the similarity ensemble approach

Lai

2019

Acta Pharmacol Sin

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Chinese herbal medicine (CHM) addresses complex diseases through polypharmacological interactions. However, systematic studies of herbal medicine pharmacology remain challenging due to the complexity of CHM ingredients and their interactions with various targets. In this study, we aim to address this challenge with computational approaches. We investigated the herb-target-disease associations of 197 commonly prescribed CHMs using the similarity ensemble approach and DisGeNET database. We demonstrated that this method can be applied to associate herbs with their putative targets. In the case study of three well-known herbs, Radix Glycyrrhizae, Flos Lonicerae, and Rhizoma Coptidis, approximately 70% of the predicted targets were supported by scientific literature. By linking 406 targets to 2439 annotated diseases, we further analyzed the pharmacological functions of 197 herbs. Finally, we proposed a strategy of target-oriented herbal formula design and illustrated the target profiles for four common chronic diseases, namely, Alzheimer’s disease, depressive disorder, hypertensive disease, and non-insulin-dependent diabetes mellitus. This computational approach holds great potential in the target identification of herbs, understanding the molecular mechanisms of CHM, and designing novel herbal formulas.

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Section: Introductionmentioning

confidence: 99%

Associating 197 Chinese herbal medicine with drug targets and diseases using the similarity ensemble approach

Lai

2019

Acta Pharmacol Sin

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“…Molecular docking has shown potential applications in the field of computer-aided drug research, especially in the development of new treatment targets against diseases caused by genetic mutations 18,19 . Moreover, the method has emerged as a powerful tool in the study of drug active sites hence playing a significant role in natural product research.…”

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confidence: 99%

Network pharmacology based virtual screening of active constituents of Prunella vulgaris L. and the molecular mechanism against breast cancer

Zhang

Shen

Zhou

et al. 2020

Sci Rep

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Prunella vulgaris L, a perennial herb widely used in Asia in the treatment of various diseases including cancer. In vitro studies have demonstrated the therapeutic effect of Prunella vulgaris L. against breast cancer through multiple pathways. However, the nature of the biological mechanisms remains unclear. In this study, a Network pharmacology based approach was used to explore active constituents and potential molecular mechanisms of Prunella vulgaris L. for the treatment of breast cancer. The methods adopted included active constituents prescreening, target prediction, GO and KEGG pathway enrichment analysis. Molecular docking experiments were used to further validate network pharmacology results. The predicted results showed that there were 19 active ingredients in Prunella vulgaris L. and 31 potential gene targets including AKT1, EGFR, MYC, and VEGFA. Further, analysis of the potential biological mechanisms of Prunella vulgaris L. against breast cancer was performed by investigating the relationship between the active constituents, target genes and pathways. Network analysis showed that Prunella vulgaris L. exerted a promising preventive effect on breast cancer by acting on tumor-associated signaling pathways. This provides a basis to understand the mechanism of the anti-breast cancer activity of Prunella vulgaris L.

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“…To prevent the severe consequences of ZIKV infections and reduce ZIKV-induced neurological defects, an effective anti-ZIKV agent is required. Compounds isolated from natural plants have been widely evaluated in many antiviral studies [ 17 , 18 ]. Previous research on the natural Cephalotaxus alkaloids harringtonine, homoharringtonine, and cephalotaxine majorly showed antitumor effects, such as antileukemic activity [ 11 , 19 , 20 ].…”

Section: Discussionmentioning

confidence: 99%

Harringtonine Inhibits Zika Virus Infection through Multiple Mechanisms

Lai

2020

Molecules

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Mosquito-borne Zika virus (ZIKV) is a Flavivirus that came under intense study from 2014 to 2016 for its well-known ability to cause congenital microcephaly in fetuses and neurological Guillain–Barré disease in adults. Substantial research on screening antiviral agents against ZIKV and preventing ZIKV infection are globally underway, but Food and Drug Administration (FDA)-approved treatments are not available yet. Compounds from Chinese medicinal herbs may offer an opportunity for potential therapies for anti-ZIKV infection. In this study, we evaluated the antiviral efficacy of harringtonine against ZIKV. Harringtonine possessed anti-ZIKV properties against the binding, entry, replication, and release stage through the virus life cycle. In addition, harringtonine have strong virucidal effects in ZIKV and exhibited prophylaxis antiviral ability prior ZIKV infection. The antiviral activity also observed in the treatment against Japanese encephalitis reporter virus (RP9-GFP strain). Overall, this study demonstrated that harringtonine would be a favorable potential candidate for the development of anti-ZIKV infection therapies.

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Herb-target interaction network analysis helps to disclose molecular mechanism of traditional Chinese medicine

Cited by 32 publications

References 56 publications

Associating 197 Chinese herbal medicine with drug targets and diseases using the similarity ensemble approach

Associating 197 Chinese herbal medicine with drug targets and diseases using the similarity ensemble approach

Network pharmacology based virtual screening of active constituents of Prunella vulgaris L. and the molecular mechanism against breast cancer

Harringtonine Inhibits Zika Virus Infection through Multiple Mechanisms

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