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In Silico Analyses of COMT, an Important Signaling Cascade of Dopaminergic Neurotransmission Pathway, for Drug Development of Parkinson’s Disease

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Abstract

Catechol-O-methyltransferase (COMT) has a vital role for degradation of dopamine, a neurotransmitter, and this dopamine performs an important function in our mental and physical health. The scarcity of dopamine may lead to Parkinson’s disease, and inhibition of COMT can stop dopamine metabolism. Here, we have carried out genomics and proteomics analyses of COMT in order to facilitate new inhibitors of COMT. For genomics analyses, we performed codon composition investigation of COMT gene which shows A+T content which is 53.3 %. For proteomics analyses, conservation patterns and residues (highly conserved amino acids GLU64, LEU65, GLY66, CYS69, GLY70, ALA77, GLU90, THR99, SER119, ASP136, LEU140, ASP141, THR164, ASN170, VAL171, and ILE172), binding grooves, binding pockets, binding and conformation with substrate, evaluation of amino acid composition (15 % leucine rich), high scoring hydrophobic segments, high scoring transmembrane segments, tandem and periodic repeats, and disulfide bonds (three numbers), sequence logos (maximum stack height of 3 b and minimum stack height of <0.5 b) have been investigated for COMT protein. Furthermore, using COMT sequences of different species (class Mammalia, class Amphibia, and class Pisces), a phylogenetic tree has been constructed to examine the evolutionary relationship among different species.

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Authors and Affiliations

  1. Centre for Nanobiotechnology, Medical Biotechnology Division, School of Biosciences and Technology, VIT University, Vellore, India

    Chiranjib Chakraborty & C. George Priya Doss

  2. Manufacturing Division, School of Mechanical and Building Sciences, VIT University, Vellore, India

    Soumen Pal

  3. Department of Marine Biotechnology and Resources, College of Marine Science and Division of Marine Biotechnology, Asia-Pacific Ocean Research Center, National Sun Yat-sen University, Kaohisung, Taiwan

    Zhi-Hong Wen & Chan-Shing Lin

Authors
  1. Chiranjib Chakraborty
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  2. Soumen Pal
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  3. C. George Priya Doss
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  4. Zhi-Hong Wen
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  5. Chan-Shing Lin
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Correspondence to Chiranjib Chakraborty.

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Chiranjib Chakraborty and Soumen Pal equally contributed to this work.

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Chakraborty, C., Pal, S., Doss, C.G.P. et al. In Silico Analyses of COMT, an Important Signaling Cascade of Dopaminergic Neurotransmission Pathway, for Drug Development of Parkinson’s Disease. Appl Biochem Biotechnol 167, 845–860 (2012). https://doi.org/10.1007/s12010-012-9725-5

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  • DOI: https://doi.org/10.1007/s12010-012-9725-5

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