In silico approaches to identify the potential inhibitors of glutamate carboxypeptidase II (GCPII) for neuroprotection
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- 作者：Shaik Mohammad Naushada ; b ; naushadsm@gmail.com" class="auth_mail" title="E-mail the corresponding author ; M. Janaki Ramaiahb ; Balraj Alex Stanleyb ; S. Prasanna Lakshmib ; J. Vishnu Priyab ; Tajamul Hussainc ; Salman A. Alrokayand ; Vijay Kumar Kutalae
- 关键词：Glutamate carboxypeptidase II ; N-acetyl aspartyl glutamate ; Glutamatergic transmission ; Urea-based NAAG-analogue
- 刊名：Journal of Theoretical Biology
- 出版年：2016
- 出版时间：7 October 2016
- 年：2016
- 卷：406
- 期：Complete
- 页码：137-142
- 全文大小：1251 K
文摘
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GCPII inhibition neuroprotective.
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Urea-based NAAG analogue exhibited potential inhibition across all GCPII variants.
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This lead molecule exhibited strong interactions with both the active Zinc ions.
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It satisfied both the Lipinski rule of five and rule of three for drug-likeliness.