A Physicochemical Model for Analyzing DNA Sequences

Samrat Dutta, Poonam Singhal, Praveen Agrawal, Raju Tomer, Kritee, Ekta Khurana, and B. Jayaram*
Department of Chemistry and Supercomputing Facility for Bioinformatics and Computational Biology, Indian Institute of Technology, Hauz Khas, New Delhi-110016, India
J. Chem. Inf. Model., 2006, 46 (1), pp 78–85
DOI: 10.1021/ci050119x
Publication Date (Web): October 12, 2005
Copyright © 2006 American Chemical Society
*

 Author to whom correspondence should be addressed. Tel.:  +91-11-2659 1505, +91-11-2659 6786. Fax:  +91-11-2658 2037. E-mail: bjayaram@chemistry.iitd.ac.in.

Abstract

In search of an ab initio model to characterize DNA sequences as genes and nongenes, we examined some physicochemical properties of each trinucleotide (codon), which could accomplish this task. We constructed three-dimensional vectors for each double-helical trinucleotide sequence considering hydrogen-bonding energy, stacking energy, and a third parameter, which we provisionally identified with DNAprotein interactions. As this three-dimensional vector moves along any genome, the net orientation of the resultant vector should differ significantly for gene and nongene regions to make a distinction feasible, if the underlying model has some merits. An analysis of 331 prokaryotic genomes comprising a total of 294 786 experimentally verified genes (nonoverlapping) and an equal number of nongenes presents a proof of concept of the model without the need for further parametrization. Also, initial analyses on Saccharomyces cerevisiae and Arabidopsis thaliana suggest that the methodology is extendable to eukaryotes. The physicochemical model (ChemGenome1.0) introduced has the potential to be developed into a gene-finding algorithm and, more pressingly, could be employed for an independent assessment of the annotation of DNA sequences.

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History

  • Published In Issue January 23, 2006
  • Received April 11, 2005

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