Structure based molecular inhibition of Caspase-8 for treatment of multi-neurodegenerative diseases using known natural compounds

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Title	Structure based molecular inhibition of Caspase-8 for treatment of multi-neurodegenerative diseases using known natural compounds
Authors	Khurshid Ahmad¹, Saif Khan², Mohd. Adil³, Mohd. Saeed¹ & Ashwini Kumar Srivastava^1*
Affiliation	¹Department of Biosciences, Integral University, Lucknow; ²College of Applied Medical Sciences, University of Ha’il, Kingdom of Saudi Arabia; 3Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh, India
Email	srivastava019@gmail.com; *Corresponding authors
Article Type	Hypothesis
Date	Received March 21, 2014; Accepted April 02, 2014; Published April 23, 2014
Abstract	Neurodegenerative disorders are often associated with excessive neuronal apoptosis. It is well known that apoptosis is regulated by some intracellular proteases, such as, Caspases (cysteine-dependent,aspartate-specific proteases). In fact, Caspase-8 which is an initiator caspase, has been identified as a key mediator of neuronal apoptosis. In addition, Caspase-8 is found to be coupled with the regulation of various neurodegenerative disorders including Alzheimer’s disease (AD), Parkinson’s disease (PD), Huntington’s Diseases (HD) and Dentatorubral Pallidoluysian Atrophy (DRPLA). Caspase-8 inhibition may provide an effective means of treatment for multiple neurodegenerative disorders. Therefore, the present study describes the molecular interaction of some selected natural compounds with known anti neurodegenerative properties with Caspase-8. Docking between Caspase-8 and each of these compounds (separately) was performed using ‘Autodock4.2’. Out of all the selected compounds, rosmarinic acid and curcumin proved to be the most potent inhibitors of Caspase-8 with binding energy (∆G) of -7.10 Kcal/mol and -7.08 Kcal/mol, respectively. However, further in vitro and in vivo studies are needed to validate the anti-neurodegenerative potential of these compounds.
Keywords	Neurodegenerative disorders, Caspase 8, Natural compounds, Molecular Docking.
Citation	*Ahmad et al.* Bioinformation 10(4): 191-195 (2014)
Edited by	P Kangueane
ISSN	0973-2063
Publisher	Biomedical Informatics
License	This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.