Τίτλος:
3D molecular modeling and evolutionary study of the Trypanosoma brucei
DNA Topoisomerase IB, as a new emerging pharmacological target
Γλώσσες Τεκμηρίου:
Αγγλικά
Περίληψη:
In the present study, an outline is proposed that may lead to specific
drug design targeting of the Trypanosoma brucei DNA Topoisomerase IB. In
this direction, an unequivocally specific platform was designed for the
development of selective modulators, The designed platform is focused on
the unique structural and catalytic features of the enzyme. Extensive
phylogenetic analysis based on all available published genomes indicated
a broad distribution of DNA topoisomerases across eukaryotic species and
revealed structurally important amino acids which could be assigned as
potentially strong contributors to the regulation of the mechanism of
the T. brucei DNA Topoisomerase IB. Based on the above, we propose a
comprehensive in silico 3D model for the structure of the T. brucei DNA
Topoisomerase IB. Our approach provides an efficient intergraded
platform with both evolutionary and structural insights for the rational
design of pharmacophore models as well as novel modulators as the
anti-T. brucei DNA Topoisomerase IB agents with therapeutic potential.
(C) 2013 Published by Elsevier Inc.
Συγγραφείς:
Vlachakis, Dimitrios
Pavlopoulou, Athanasia
Roubelakis, Maria G.
and Feidakis, Christos
Anagnou, Nikolaos P.
Kossida, Sophia
Περιοδικό:
LIFESTYLE GENOMICS
Εκδότης:
ACADEMIC PRESS INC ELSEVIER SCIENCE
Λέξεις-κλειδιά:
3D molecular modeling; Evolutionary study; Trypanosoma brucei; DNA
Topoisomerase IB
DOI:
10.1016/j.ygeno.2013.11.008
