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Structural and Dynamic Insights into S100B Protein Activity Inhibition by Melittin for the Treatment of Epilepsy

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IJCA Proceedings on National Seminar on Application of Artificial Intelligence in Life Sciences 2013
© 2013 by IJCA Journal
NSAAILS - Number 1
Year of Publication: 2013
Authors:
Neeraj Verma
Madhumita Karmakar
Krishna P Singh
Suchi Smita

Neeraj Verma, Madhumita Karmakar, Krishna P Singh and Suchi Smita. Article: Structural and Dynamic Insights into S100B Protein Activity Inhibition by Melittin for the Treatment of Epilepsy. IJCA Proceedings on National Seminar on Application of Artificial Intelligence in Life Sciences 2013 NSAAILS(1):55-60, February 2013. Published by Foundation of Computer Science, New York, USA. BibTeX

@article{key:article,
	author = {Neeraj Verma and Madhumita Karmakar and Krishna P Singh and Suchi Smita},
	title = {Article: Structural and Dynamic Insights into S100B Protein Activity Inhibition by Melittin for the Treatment of Epilepsy},
	journal = {IJCA Proceedings on National Seminar on Application of Artificial Intelligence in Life Sciences 2013},
	year = {2013},
	volume = {NSAAILS},
	number = {1},
	pages = {55-60},
	month = {February},
	note = {Published by Foundation of Computer Science, New York, USA}
}

Abstract

Epilepsy is a common chronic central nervous system disorder characterized by repeated malicious seizures. Current medications acceptable by medical practitioners till date mostly suppresses the seizures and has symptomatic relief, but no effect on epileptogenesis. In the present work, we have attempted to provide the scientific base to use the bee venom therapy (Apitherapy) which was practiced throughout ancient Egyptian, Greek and Chinese civilization to treat epilepsy. Our computational studies and molecular dynamics simulation results indicate that interaction between S100B (calcium binding protein) and melittin (a venom peptide from bee), resulted in the structural distortion and inaccessibility of calcium binding domain of S100B protein, which is required to maintain ionic imbalance due to over expressed S100B in disease conditions.

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