Home >> Archives

International Journal of Pure & Applied Bioscience (IJPAB)
Year : 2016, Volume : 4, Issue : 4
First page : (282) Last page : (292)
Article doi: http://dx.doi.org/10.18782/2320-7051.2356

Structure Based Drug Desiginig of Neplanocin A

A. Sreenubabu1* and D. Haribabu Rao2
1Department of Chemistry, SML Government Degree College, Yemmiganur, Kurnool district, A.P., India
2Department of Botany, SBSYM Degree College, Kurnool, Andhra Pradesh, India
*Corresponding Author E-mail: sreenubaburoyal@gmail.com
Received: 15.08.2016  |  Revised: 22.08.2016   |  Accepted: 24.08.2016  

Neplanocin A, a novel cyclopentenyl analog of adenosine, is a naturally occurring antibiotic which exhibits significant antitumor activity. In the present study we demonstrate that neplanocin A is also a potent inhibitor of S-adenosylhomocysteine (AdoHcy) hydrolase. Analysis of the apparent irreversible inactivation of AdoHcy hydrolase by neplanocin A indicates that the drug is a tight binding inhibitor, exhibiting a stoichiometry of one molecule of inhibitor to one molecule (tetramer) of enzyme. Also neplanocin A is a potent inhibitor of vaccinia virus (WR). The inhibition of virus multiplication by neplanocin A may be related to an inhibition of S-adenosylmethionine-dependent macromolecular methylation reactions which are essential to the production of new virus particles (e.g. viral messenger RNA). To decrease its adverse effects, we performed docking studies with different substitutes of the Neoplacin with GOLD software. Pharmacophore mapping and ludi interaction were calculated for strengthening the binding of ligand with S-adenosyl-L-homocysteine hydrolase.

Key words: Neplanocin A, Modelling, S-adenosylhomocysteine, Docking studies

Full Text : PDF; Journal doi : http://dx.doi.org/10.18782

Cite this article: Sreenubabu, A. and Rao, D.H., Structure Based Drug Desiginig of Neplanocin A, Int. J. Pure App. Biosci.4(4): 282-292 (2016). doi: http://dx.doi.org/10.18782/2320-7051.2356