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Article

In silico approaches to identify the potential inhibitors of glutamate carboxypeptidase II (GCPII) for neuroprotection.

Journal of theoretical biology - 7 Oct 2016

Naushad Shaik Mohammad, Janaki Ramaiah M, Stanley Balraj Alex, Prasanna Lakshmi S, Vishnu Priya J, Hussain Tajamul, Alrokayan Salman A, Kutala Vijay Kumar

Abstract excerpt

To develop a potential inhibitor for glutamate carboxypeptidase II (GCPII) effective against all the eight common genetic variants reported, PyMOL molecular visualization system was used to generate models of variants using the crystal structure of GCPII i.e. 2OOT as a template. High-throughput virtual screening of 29 compounds revealed differential efficacy across the eight genetic variants (pIC50: 4.70 to...

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Identifiers

PMID: 27430729
DOI: 10.1016/j.jtbi.2016.07.016

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