©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 firstname.lastname@example.org. 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.
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.
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.