©1996-2014
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 (3): 302-310, 2013
In silico inhibitors for human papillomavirus 16 E7
protein
Kumar
S1*,
Jena L1, Mohod K1,
Daf S2, Varma A3
1Biochemistry & Bioinformatics Centre, Mahatma
Gandhi Institute of
Medical Sciences, Sevagram,
Maharashtra, India 2Datta Meghe
Institute
of Medical Sciences (Deemed University), Nagpur, 3Advanced
Centre
for Treatment, Research & Education in Cancer, Khargar,
Navi Mumbai
Kumar S,
Jena L, Mohod
K, Daf S, Varma
A., In silico inhibitors for
human papillomavirus 16 E7 protein, Onl
J Bioinform., 14 (3): 302-310, 2013. Human
papillomavirus (HPV) infection is the
leading cause of cancer mortality among women worldwide. In silico
inhibitors against E7 onco-protein
of high risk HPV 16 which inactivates
retinoblastoma tumor suppressor protein (pRB)
is
described. A homology model of HPV 16 E7 was built using Phyre
2 server followed by structural refinement and energy
minimization by YASARA
Energy Minimization Server. The refined model reliability was
assessed through Procheck, ProSA and ProQ.
A total of 5000 drug like compounds were downloaded
from ZINC database based on the properties similar to the
known inhibitor Jaceosidin
(5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one).
Virtual
-ligand - screenings approaches were applied to screen the
appropriate
drug like compounds using molecular docking program Auto Dock
Vina in PyRx
0.8 and 5 best novel
drug-like compounds were identified as potential competitive
inhibitors against
E7 of HPV 16 compared to Jaceosidin,
a known
inhibitor.
Keywords:
HPV 16, E7, Virtual Screening,
Inhibitors, Cancer, pRb