Molecular Modeling Studied for Inhibition of Calcium Channel Receptor: A Strategy for the development of new Antiepileptic Drug

  • Posted on: 1 April 2015
  • By: admin

 

Magazine Home


APR 2015 ARTICLE LIST >>

PharmaTutor (April- 2015)

 

Print-ISSN: 2394 - 6679
e-ISSN: 2347 - 7881
(Volume 3, Issue 4)

 

Received On: 05/02/2015; Accepted On: 18/02/2015; Published On: 01/04/2015

 

AUTHORS: Vinit Raj*, Amit Rai, Deepak Kumar, Vinod Kumar
Department of Pharmaceutical Sciences,
Babasaheb BhimraoAmbedkar University (A Central University),
Vidya Vihar, Raebreli Road, Lucknow, Uttar Pradesh, India
*raj.vinit24@gmail.com

 

ABSTRACT
Epilepsy is a common brain disease that is characterized by recurrent and spontaneous seizures that result from abnormal and excessive synchronization of neuronal activity. Whereas, accumulation of Ca++ in presynaptic terminals, leading to improved neurotransmitter release. In additional, depolarization-induced inauguration of the NMDA subtype of the excitatory amino acid receptor, which causes more Ca++ influx and neuronal activation. The main aim of this study to focus on the deactivation of Ca++ influx and prevent the augmentation of neuron activation. However, we performed molecular modeling of novel 1,3,4-thiadiazole derivatives keeping in view structural requirement of pharmacophore and Quantitative structure activity relationship (QSAR) and evaluated in silico anticonvulsant activity. Docking procedures allow virtually screening a database of compounds and predict the strongest binder based on various scoring functions. In the docking study, targeted ligand produced significantly affinity with the calcium channel receptor which is slightly higher than the phenytoin drug. A computational study was also carried out including prediction of pharmacokinetic properties, toxicity and bioactivity studies. All above parameter was calculated which exhibited slightly excellent compared than standard Phenytoin drug. The above observation suggested that these compounds would serve as better lead for anticonvulsant screening for future drug design perspective.

 

How to cite this article: V Raj, A Rai, D Kumar, V Kumar; Molecular Modeling Studied for Inhibition of Calcium Channel Receptor: A Strategy for the development of new Antiepileptic Drug; PharmaTutor; 2015; 3(4); 33-39

 

[ABSTRACT WITH CITATION]   [VIEW AS HTML]