Title

Authors

Affiliation

¹Department of Biotechnology, JNTU College of Engineering, Pulivendula, Kadapa (Dist), Andhra Pradesh, India-516390; ²Centre for Biotechnology, Institute of Science and Technology, Jawaharlal Nehru Technological University, Hyderabad-500085, India; ³Muvva Biosolutions Pvt.Ltd, Bioinformatics Division, KPHB, Hyderabad-500072, India.

Email

annu.kasoju@gmail.com; *Corresponding author

Article Type

Hypothesis

Date

Received July 09, 2012; Accepted July 16, 2012; Published July 21, 2012

Aflatoxins are polyketide-derived secondary metabolites produced by Aspergillus spp. The toxic effects of aflatoxins have adverse consequences for human health and agricultural economics. The aflR gene, a regulatory gene for aflatoxin biosynthesis, encodes a protein containing a zinc-fnger DNA-binding motif. AFLR-Protein three-dimensional model was generated using Robetta server. The modeled AFLR-Protein was further optimization and validation using Rampage. In the simulations, we monitored the backbone atoms and the C-a-helix of the modeled protein. The low RMSD and the simulation time indicate that, as expected, the 3D structural model of AFLR-protein represents a stable folding conformation. This study paves the way for generating computer molecular models for proteins whose crystal structures are not available and which would aid in detailed molecular mechanism of inhibition of aflatoxin.

Keywords

aflR gene, aflatoxin, RMSD

Citation

Kasoju et al. Bioinformation 8(14): 684-686 (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.