Abstract:
:Recently, cardiovascular disease, also known as loop circulatory system diseases or disorders, is one of the serious diseases including heart disease, stroke, atherosclerosis, myocardial infarction, hypertension, hypotension, and thrombosis. Human pregnane X receptor, PXR, plays a crucial role in exogenous and endobiotic metabolism for rabbit, rat, mouse, and human. The PXR activation can protect the blood vessels from damage of hazardous substances. In this study we aim to investigate the potent lead compounds as PXR receptor agonist against cardiovascular disease. To improve drug development of TCM compounds, we aim to investigate the potent lead compounds as PXR agonists from the TCM compounds in TCM Database@Taiwan. The top three TCM compounds, bis(4-hydroxybenzyl) ether mono-β-D-glucopyranoside (BEMG), ixerisoside, and tangshenoside II, have displayed higher potent binding affinities than the positive control, PNU-142721, in the docking simulation. After MD simulations, which can optimize the result of docking simulation and validate the stability of H-bonds between each ligand and PXR protein under dynamic conditions, top TCM compounds, BEMG and tangshenoside II, maintain most of interactions with PXR protein, which keep the ligand binding stable in the binding domain. Hence, we propose BEMG and tangshenoside II as potential lead compounds for further study in drug development process with the PXR protein.
journal_name
Biomed Res Intjournal_title
BioMed research internationalauthors
Chen KB,Chen HY,Chen KC,Chen CYdoi
10.1155/2014/950191subject
Has Abstractpub_date
2014-01-01 00:00:00pages
950191eissn
2314-6133issn
2314-6141journal_volume
2014pub_type
杂志文章abstract::The aim of this study was to develop a freeze-drying protocol facilitating successful processing of plant material containing the small surface antigen of hepatitis B virus (S-HBsAg) while preserving its VLP structure and immunogenicity. Freeze-drying of the antigen in lettuce leaf tissue, without any isolation or pur...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2014/485689
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journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2014/672926
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journal_title:BioMed research international
pub_type: 杂志文章,评审
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journal_title:BioMed research international
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journal_title:BioMed research international
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doi:10.1155/2017/3691819
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doi:10.1155/2017/5207685
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journal_title:BioMed research international
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doi:10.1155/2018/4560647
更新日期:2018-05-15 00:00:00
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pub_type: 杂志文章
doi:10.1155/2017/9173040
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journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2015/457473
更新日期:2015-01-01 00:00:00
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journal_title:BioMed research international
pub_type: 杂志文章,评审
doi:10.1155/2014/837157
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journal_title:BioMed research international
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doi:10.1155/2015/961314
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pub_type: 杂志文章
doi:10.1155/2020/6665974
更新日期:2020-12-22 00:00:00
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journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2015/416838
更新日期:2015-01-01 00:00:00
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journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2016/7857345
更新日期:2016-01-01 00:00:00
abstract::[This corrects the article DOI: 10.1155/2015/714230.]. ...
journal_title:BioMed research international
pub_type: 已发布勘误
doi:10.1155/2016/9325260
更新日期:2016-01-01 00:00:00
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doi:10.1155/2020/3858465
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doi:10.1155/2015/613247
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journal_title:BioMed research international
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journal_title:BioMed research international
pub_type: 杂志文章
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更新日期:2020-10-22 00:00:00
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journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2020/7196981
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journal_title:BioMed research international
pub_type: 杂志文章,评审
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更新日期:2020-12-09 00:00:00
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journal_title:BioMed research international
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doi:10.1155/2017/5232680
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journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2014/791238
更新日期:2014-01-01 00:00:00