Title

Molecular modelling of urease accessory interaction proteins of Helicobacter Pylori J 99 and predicting an interruption in interaction by Vigna radiata Defensins

Authors

Manivannan Paramasivan¹, Ganesan Sankaran², Naveenkumar Sethuraman²,Daniel Selvakumar Devadoss¹, Sathiamoorthi Thangavelu¹, Muralitharan Gangatharan¹*

Affiliation

¹Department of Microbiology, Bharathidasan University, Tiruchirappalli - 620024, Tamil Nadu, India; ²Department of Marine Science, Bharathidasan University,Tiruchirappalli - 620024, Tamil Nadu, India

Email

gmuralitharan@rediffmail.com; *Corresponding author

Article Type

Hypothesis

Date

Received November 09, 2010; Accepted November 24, 2010; Published February 15, 2011

Helicobacter pylori is the major causative agent of Gastric carcinoma. Significance of the urease accessory interaction proteins are emphasized in colonization of human gastric mucosa and efficient infection of H. pylori. Here an attempt is made to explore the structure and properties of urease accessory interaction proteins from Helicobacter pylori J99. The proteins chosen for the study are ureH, ureI, nikR, groL and flgS based on the interaction map available from STRING database. The above mentioned proteins do not have a comprehensive three dimensional structure. Hence the models were generated using PSI-BLAST (Position Specific Iterative-Blast) and MODELLER 9V8. Physicochemical characterization encompasses pI, EC, AI, II and GRAVY. Secondary structure was predicted using PSI-PRED. Functional characterization was done by SOSUI and DISULFIND Servers and refinement of structure was done using Ramachandran plot analysis. RMS-Z values were calculated using Q-MEAN Server and CHIMERA was used for molecular simulation studies. Plant defensins from Vigna radiata are successfully docked to the modeled structures and thus interaction could be possibly prevented. These results will pave way for further selective inhibition of H. pylori colonization and in vivo survival by employing plant defensins from Vigna radiata (VrD1 & VrD2). The work will prove that plant defensins provides anticancer relief too. 

Citation

Paramasivan et al. Bioinformation 5(10): 410-415 (2011)

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.