Title

A database for the predicted pharmacophoric features of medicinal compounds 

Authors

Pitchai Daisy¹*, Sanjeev Kumar Singh², Periyasamy Vijayalakshmi², Chandrabose Selvaraj², Manikkam Rajalakshmi¹, Sukumaran Suveena¹ 

Affiliation

¹Bioinformatics centre (BIF), PG, Research Department of Biotechnology & Bioinformatics, Holy Cross College (Autonomous), Tiruchirapalli-620002, Tamilnadu, India; ²Computer Aided Drug Design and Molecular Modeling Laboratory, Department of Bioinformatics, Alagappa University, Karaikudi-630003, Tamilnadu, India

Email

daisylesslie@yahoo.com; *Corresponding author

Article Type

Database

Date

Received March 05, 2011; Accepted April 25, 2011; Published May 07, 2011

Pharmacophore feature is defined by a set of chemical structure patterns having the active site of drug like molecule. Pharmacophore can be used to assist in building hypothesis about desirable chemical properties in drug molecule and hence it can be used to refine and modify drug candidates. We predicted the pharmacophoric features of 150 medicinal compounds from plants for anti-cancer, anti-carcinogenic, anti-diabetic, anti-microbial, and anti-oxidant. Estimation of pharmacophoric feature is necessary to ensure the optimal supramolecular interaction with a biological target and to trigger or block its biological response. We subsequently make this data available to open access using a database at the URL: http://www.hccbif.info/index.htm 

Availability

http://www.hccbif.info/index.htm

Keywords

Anti Diabetic, Anti Cancer, Anti Microbial, Pharmacophoric features, Phase.

Citation

Daisy et al. Bioinformation 6(4): 167-168 (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.