ABOUT   |   AIMS and SCOPE   |   AUTHOR INSTRUCTIONS   |   EDITORIAL BOARD   |   ARCHIVE   |   CURRENT ISSUE   |   SUBMIT MANUSCRIPT ONLINE  |

This Article

Copyright © 2012 | AIZEON publishers | All rights reserved

 Open Access
 Abstract Free
 Full Text PDF Free

 

Services

Articles by corresponding author in PubMed

Articles by corresponding author in Google Scholar

 

 

 

aizeon

 



 

ABSTRACT   REFERENCES  
Journal of Bioinformatics and Research 1(2-3) 2012: 33-35

In silico molecular docking analysis of few plant compounds as aldose reductase inhibitors


Y Ammiraju1, Chakrapani Dasari1, T. Venkata Prasanna2, Palakeerthi Srinivas Kumar2*

1Department of Biotechnology, GITAM University, Rushikonda, Visakhapatnam, Andhra Pradesh, India.
2Department of Biotechnology, JNT University, Hyderabad, Andhra Pradesh, India.

* To whom correspondence should be addressed. Email: bio.srinu@gmail.com

ABSTRACT

Various proteins play important roles in diabetes and a number of plants have been tested for their efficacy in
modulating the disease. In our study, protein - ligand interaction studies were performed on 133 compounds from
different parts of four plants (Allium sativum, Dacus carota, Eucalyptus globus and Lycopersicon esculentum) against
aldose reductase enzyme. Molegro Virtual Docker software was used as docking program and the 2D molecules are
energy minimized using Tsar (Tools for structure activity relationships) software. Further, docking and re-scoring of
compounds using Molegro, MEDock and Patchdock followed by rank-sum technique revealed high binding affinity of
compound Eriodictyol-7-neohesperiodoside from Allium sativum against aldose reductase, 1AH3. The docked pose of
compound Eriodictyol-7-neohesperiodoside exactly fits into the active site region and the ligand formed more number
of H-bond interactions than the co-crystallized ligand.


Copyright © 2012 | AIZEON publishers | All rights reserved

..........................................................................................................................................................................................................

Citation: Ammiraju Y, Dasari C, Prasanna TV and Kumar PS (2012). In silico molecular docking analysis of few plant compounds as aldose reductase inhibitors. Journal of Bioinformatics and Research 1(2-3): 33-35

..........................................................................................................................................................................................................

 

 


Template by JustDreamweaver.com