1,5-O-Dicaffeoyl-quinic Acid as a Novel Potential NMDA Receptor Inhibitor from Traditional Chinese Medicine Database by Virtual Screening

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• 作者：Xing Tian^a ; ^b ; Jian Wang^c ; Jun Zhu^c ; Yan-hua Fan^c ; Wei-hong Meng^a ; Rong Fan^a ; Qing-chun Zhao^a ; ^{zhaoqingchun1967@163.com" class="auth_mail" title="E-mail the corresponding author}
• 关键词：1 ; 5-O-dicaffeoyl-quinic acid ; glutamate ; neurodegenerative diseases ; N-methyl-D-aspartate receptor ; virtual screen
• 刊名：Chinese Herbal Medicines
• 出版年：2016
• 出版时间：October 2016
• 年：2016
• 卷：8
• 期：4
• 页码：366-370
• 全文大小：604 K

文摘

Neurodegenerative diseases, such as ischemia, traumatic injury, Alzheimer's disease, and Parkinson's disease are characterized by neuronal loss and dysfunction. It is known that glutamate-induced toxicity plays an important role in neurodegenerative diseases. Glutamate toxicity seems to be mediated by excessive influx of Ca²⁺ into neuronal cells through activation of N-methyl-D-aspartate (NMDA) receptor. To search for potential NMDA receptor inhibitors in traditional Chinese medicine.

4 id="absSec_2">Methods4>

A series of computer methods including drug-likeness evaluation, ADMET tests as well as molecular docking have been used.

4 id="absSec_3">Results4>

1,5-O-dicaffeoyl-quinic acid was identified as NMDA receptor inhibitor by virtual screening. Its neuroprotective activity was further confirmed by in vitro test. 1,5-O-dicaffeoyl-quinic acid showed strong neuroprotection against NMDA-induced cell injury.

4 id="absSec_4">Conclusion4>

40">1,5-O-Dicaffeoylquinic acid may be regarded as a potential NMDA receptor inhibitor for the prevention and treatment of neurodegenerative disorders.