NDLI: Structural analysis of trypanosomal sirtuin: an insight for selective drug design

Content Provider	Springer Nature Link
Author	Kaur, Simranjeet Shivange, Amol V. Roy, Nilanjan
Copyright Year	2009
Abstract	The infectious disease burden imposed by trypanosomatidae family continues to create burden in countries that are least equipped to bring new medicines to the clinic. For sickness caused by this family of parasites (African trypanosomiasis, Chagas disease, and leishmaniasis) no vaccines are available, and currently available drugs suffer from insufficient efficacy, excessive toxicity, and steady loss of effectiveness due to resistance. Availability of the genome sequence of pathogens of this family offers a unique avenue for the identification of novel common drug targets for all three pathogens. Sirtuin family of nicotinamide adenine dinucleotide (NAD)-dependent deacetylases are remarkably conserved throughout evolution from archaebacteria to eukaryotes and plays an important role in trypanosomatidae biology and virulence. In order to gain insight for selective drug design, three-dimensional (3D) models of L. major, L. infantum, T. brucie, and T. cruzi sirtuin were constructed by homology modeling and compared with human sirtuin. The molecular electrostatic potentials and cavity depth analysis of these models suggest that the inhibitor binding catalytic domain has various minor structural differences in the active site of trypanosomal and human sirtuin, regardless of sequence similarity. These studies have implications for designing effective strategies to identify inhibitors that can be developed as novel broad-spectrum antitrypanosomal drugs.
Starting Page	169
Ending Page	178
Page Count	10
File Format	PDF
ISSN	13811991
Journal	Molecular Diversity
Volume Number	14
Issue Number	1
e-ISSN	1573501X
Language	English
Publisher	Springer Netherlands
Publisher Date	2009-04-29
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Sir2 Sirtuin Homology modeling Surface analysis Molecular electrostatic potential Cavity depth Pharmacy Polymer Sciences Organic Chemistry Biochemistry
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Medicine Drug Discovery Molecular Biology Physical and Theoretical Chemistry Information Systems Catalysis Inorganic Chemistry

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