©1996-2013
All Rights Reserved.
Online Journal of
Bioinformatics
.
You may not store these pages in any form except for your own
personal use. All
other usage or distribution is illegal under international
copyright treaties. Permission to use any
of these pages in any other way besides the
before mentioned must be gained in writing from the
publisher. This
article is exclusively copyrighted in its entirety to OJB
publications. This
article may be copied once but may not be, reproduced or
re-transmitted without
the express permission of the editors. This
journal
satisfies the refereeing requirements (DEST) for the Higher
Education
Research Data Collection (Australia). Linking:To
link to this page or any pages linking to this page you
must link directly to this page only here rather than put up
your own page.
OJBTM
Online
Journal of Bioinformatics ©
Volume 14(1):1-8, 2013
In silico
analysis of flavopiridol
analogues with Cdk2 in
cancer therapy
Darakhshan Jabin
(M Sc), Ambarish
Sharan Vidyarthi
(PhD), Shankaracharya (PhD) *
Department
of
Biotechnology, Birla Institute of Technology, Mesra,
Ranchi, Jharkhand, India
Jabin
D, Vidyarthi AS, Shankaracharya
S., In silico
analysis of flavopiridol
analogues with Cdk2 for
cancer therapy, Online J Bioinform.,
14(1):1-8, 2013. Cyclin-dependent kinase 2 (CDK2)
is essential for G1/S phase transitions of the cell
cycle.
Flavopiridol
inhibits cancer
through interference with cyclin
dependent kinases. Virtual screening and
flexible docking using
GLIDE with ADME was used to predict 10 potential flavopiridol
analogues. From 500 compounds, ZINC_29557166 showed an
interacting ligand with
cdk2 having a low GScore of -
8.78 satisfying all the
parameters of an ADME properties prediction.
Keywords: Flavopiridol, Cdk2, Molecular Docking,
ADME, Toxicity
Prediction