©2020-2032 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 onlinejournals@gmail.com.
This article may be copied once but may not be, reproduced or re-transmitted without the express
permission of the editors. 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 22 (1): 18-23, 2021.
In silico
curcumin analog binding with Human papilloma virus 16 E6 protein.
Ajay Kumar Singh and
Krishna Misra.
Centre
For Biomedical Magnetic Resonance, SGPGI campus,
Lucknow.
ABSTRACT
Kumar Singh A, Misra K., In silico curcumin
analog binding with Human papilloma virus 16 E6 protein, Onl
J Bioinform., 22
(1): 18-23, 2021. Curcumin
(diferuloyl methane) natural analogs demethoxy, bis-demethoxy and cyclo-curcumin, present in rhizomes of Curcuma turmeric
inhibit proliferation of tumor cells. In
silico studies suggested strong binding with active sites on HPV E6
protein, an ideal target for restoring tumor suppressor function of p53 thus
allowing apoptosis of infected cells. Target nuclear protein HPV E6 (PDB i.d. 2fk4) 158 amino acids long is actively involved in
oral and cervical cancers. We found that analogs demethoxy,
bis-demethoxy and specifically cyclo-curcumin
bound strongly with HPV 16 E6 protein (PDB I.d.
2fk4). Intermolecular binding
interactions were specific with conserved orientation. Low energy H bonding in HPV 16 E6 protein (PDB id: 2fk4) with
curcumin or cyclo-curcumin suggest potential drugs
for oral and cervical cancer. Enhancing hydrogen donors/acceptors in cyclo- curcumin could boost anti-cancer activity.
KEY WORDS: Curcumin, papilloma virus, binding, cancer.
FULL-TEXT (SUBSCRIBE OR PURCHASE TITLE)