Title

Shape based virtual screening and molecular docking towards designing novel pancreatic lipase inhibitors

Authors

Ganesh Kumar Veeramachaneni¹, K Kranthi Raj¹, Leela Madhuri Chalasani¹, Sai Krishna Annamraju¹, Bondili JS¹ &Venkateswara Rao Talluri^1,2*

Affiliation

¹Department of Biotechnology, K L E F University, Green Fields, Vaddeswaram, 522 502, Guntur (Dt.), A.P, India; ²Prof. TNA Innovation Center, VBTIPL, Sy no. 253/A, Jiblakpally, Pochampally, 508 284, Nalgonda (Dist), Telangana, India

Email

tvrao_bt@kluniversity.in ;  *Corresponding author

Article Type

Hypothesis

Date

Received October 28, 2015; Accepted November 04, 2015; Published December 31, 2015

Increase in obesity rates and obesity associated health issues became one of the greatest health concerns in the present world population. With alarming increase in obese percentage there is a need to design new drugs related to the obesity targets. Among the various targets linked to obesity, pancreatic lipase was one of the promising targets for obesity treatment. Using the in silico methods like structure based virtual screening, QikProp, docking studies and binding energy calculations three molecules namely zinc85531017, zinc95919096 and zinc33963788 from the natural database were reported as the potential inhibitors for the pancreatic lipase. Among them zinc95919096 presented all the interactions matching to both standard and crystal ligand and hence it can be further proceeded to drug discovery process

Citation

Veeramachaneni et al. Bioinformation 11(12): 535-542 (2015)
 

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.