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Title

In-silico comparative study of inhibitory mechanism of Plant Serine Proteinase Inhibitors

 

Authors

Chekkara Venkata Sathya Siva Prasad1*, Saurabh Gupta1, Alex Gaponenko2 & Murli Dhar1

 

Affiliation

1Division of Applied Sciences & IRCB, Indian Institute of Information Technology, Deoghat, Jhalwa, Allahabad 211012, India; 2Koltzov Institute of Development Biology, Russian Academy of Sciences, Moscow, Russia.

 

Email

shiva@iiita.ac.in; *Corresponding author

 

Article Type

Hypothesis

 

Date

Received June 30, 2012; Accepted July 06, 2012; Published July 21, 2012

 

Abstract

The nematodes like root-knot and cyst are plant-parasitic pest found in horticultural and agricultural crops. They do damages in the roots of plants as a result losses million tons of production. High cost of nematicides and environment safety concern has necessitated finding of some alternative methods. Under Integrated Pest Management (IPM) such problems are solving significantly by means of target gene inhibition, agrobacterium mediated transformation etc. One of this strategy use Plant Proteinase Inhibitors (PIs) gene which are used to control the proteolysis mechanism of Pest by inhibiting gut Serine Proteinase (SP). Present work investigates the utility of computer aided methods to study the mechanism of Protein-Protein interactions and thereby inhibition of Serine Proteinase by PIs. Hence 3D models of Serine Proteinase as well as Serine Proteinase Inhibitors (SPIs) generated using homology modeling. Validations of constructed models have been done by PROCHECK, VERIFY3D, ERRAT and PROSA. Prediction of Protein interacting surface patches and site specific protein docking was performed by using ZDOCK Server. Backbone refinement of output protein complexes was executed in Fiber Dock server. Interaction study between SP and SPIs complexes shows their comparative inhibition efficacy, measured in terms of number of hydrogen bonds, Van dar wall attraction and docking energy. This work reported that Vigna marina and Phaseolus oligospermus are having better inhibition efficiency in comparison to other inhibitors.

 

Keywords

Serine Proteinase, Serine Proteinase Inhibitors, Vigna marina, Phaseolus oligospermus, Integrated Pest Management, Modeling, Docking

 

Citation

Prasad et al. Bioinformation 8(14): 673-677 (2012)
 

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.