دورية أكاديمية
In Silico Analysis of the Association Relationship between Neuroprotection and Flavors of Traditional Chinese Medicine Based on the mGluRs
| العنوان: | In Silico Analysis of the Association Relationship between Neuroprotection and Flavors of Traditional Chinese Medicine Based on the mGluRs |
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| المؤلفون: | Xu Zhang, Liansheng Qiao, Yankun Chen, Bowen Zhao, Yu Gu, Xiaoqian Huo, Yanling Zhang, Gongyu Li |
| المصدر: | International Journal of Molecular Sciences, Vol 19, Iss 1, p 163 (2018) |
| بيانات النشر: | MDPI AG, 2018. |
| سنة النشر: | 2018 |
| المجموعة: | LCC:Biology (General) LCC:Chemistry |
| مصطلحات موضوعية: | metabotropic glutamate receptors (mGluRs), traditional Chinese medicine (TCM), five flavors, neuroprotection, allosteric, virtual screening, Biology (General), QH301-705.5, Chemistry, QD1-999 |
| الوصف: | The metabotropic glutamate receptors (mGluRs) are known as both synaptic receptors and taste receptors. This feature is highly similar to the Property and Flavor theory of Traditional Chinese medicine (TCM), which has the pharmacological effect and flavor. In this study, six ligand based pharmacophore (LBP) models, seven homology modeling models, and fourteen molecular docking models of mGluRs were built based on orthosteric and allosteric sites to screening potential compounds from Traditional Chinese Medicine Database (TCMD). Based on the Pharmacopoeia of the People’s Republic of China, TCMs of compounds and their flavors were traced and listed. According to the tracing result, we found that the TCMs of the compounds which bound to orthosteric sites of mGluRs are highly correlated to a sweet flavor, while the allosteric site corresponds to a bitter flavor. Meanwhile, the pharmacological effects of TCMs with highly frequent flavors were further analyzed. We found that those TCMs play a neuroprotective role through the efficiencies of detumescence, promoting blood circulation, analgesic effect, and so on. This study provides a guide for developing new neuroprotective drugs from TCMs which target mGluRs. Moreover, it is the first study to present a novel approach to discuss the association relationship between flavor and the neuroprotective mechanism of TCM based on mGluRs. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 1422-0067 |
| Relation: | http://www.mdpi.com/1422-0067/19/1/163; https://doaj.org/toc/1422-0067 |
| DOI: | 10.3390/ijms19010163 |
| URL الوصول: | https://doaj.org/article/412307a6f38d47efb6d47ca358f8348e |
| رقم الأكسشن: | edsdoj.412307a6f38d47efb6d47ca358f8348e |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 14220067 |
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| DOI: | 10.3390/ijms19010163 |