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In silico Design, Synthesis and Pharmacological screening of Quinazolinones as NMDA receptor antagonists for Anticonvulsant activity: Part II

1★, 2, 3, 1★ Corresponding author

  1. 1Department of Pharmaceutical Chemistry, Smt. Kashibai Navale College of Pharmacy, Kondhwa, Pune-48, INDIA.
  2. 2Senior Research Fellow, Smt. Kashibai Navale College of Pharmacy, Kondhwa, Pune-48, INDIA.
  3. 3Post Graduate Research Fellow Smt. Kashibai Navale College of Pharmacy, Kondhwa, Pune-48, INDIA.

CORRESPONDENCE

Amit G. Nerkar

Department of Pharmaceutical Chemistry, Smt. Kashibai Navale College of Pharmacy, Kondhwa, Pune-48, INDIA.

amit.nerkar@sinhgad.edu

Volume 7, Issue 4 · pp. 303-310 · 2015 · DOI: 10.5530/jyp.2015.4.4

ABSTRACT

Background: N-methyl-D-Aspartate (NMDA) receptor plays a main role in eliptogenisis and its inhibition has therapeutic significance in development of anticonvulsants. Prioritized quinazolinone molecules were synthesized, evaluated in vivo by AOT and then for anticonvulsant activity in NMDA induced convulsion model.Method: In silico Screening of prioritized molecule was done by biological activity predictions, partition coefficient predictions (Log P), molecular docking on NMDA receptors, in silico ADME predictions using PASS server and mol inspiration software, V Life MDS 4.3 software and Pre ADMET server respectively. This gave biological activity (BA) score for anticonvulsant activity and predicted Log P values (p Log P). The standard Log P required for anticonvulsant activities being more than 2.00, therefore molecules were also prioritized based on this p Log P criteria. Docking showed results of antagonism in silico as compared with Memnatine and molecules were prioritized for synthesis based on this criteria.Result: Quinazolinone molecules were prioritized based upon docking score, ADME and BA score, synthesized and pharmacologically screened for anticonvulsant activity.Conclusion: SMMB1, SMMB2, SMMB3 showed the prominent anticonvulsant activity as compared with memantine used as standard for in vivo anticonvulsant activity. The compounds can serve as anticonvulsant Leads through NMDA antagonism.

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    Nerkar, A. G., Sahu, M., Valvi, S., & Sawant, S. D. (2015). In silico Design, Synthesis and Pharmacological screening of Quinazolinones as NMDA receptor antagonists for Anticonvulsant activity: Part II. Journal of Young Pharmacists, 7(4), 303-310. https://doi.org/10.5530/jyp.2015.4.4

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    © 2015 Author(s)

    This is an open access article distributed under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 License, which allows others to remix, tweak, and build upon the work non-commercially, as long as the author is credited and the new creations are licensed under the identical terms. CC BY-NC-SA 4.0