Modified 5-fluorouracil: Uridine phosphorylase inhibitor
- Authors: Lashkov A.A.1, Shchekotikhin A.A.2, Shtil A.A.3, Sotnichenko S.E.1, Mikhailov A.M.1
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Affiliations:
- Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics”
- Gause Institute of New Antibiotics
- Blokhin Russian Cancer Research Center
- Issue: Vol 61, No 5 (2016)
- Pages: 826-829
- Section: Structure of Macromolecular Compounds
- URL: https://journals.rcsi.science/1063-7745/article/view/190309
- DOI: https://doi.org/10.1134/S1063774516050138
- ID: 190309
Cite item
Abstract
5-Fluorouracil (5-FU) is a medication widely used in chemotherapy to treat various types of cancer. Being a substrate for the reverse reaction catalyzed by uridine phosphorylase (UPase), 5-FU serves as a promising prototype molecule (molecular scaffold) for the design of a selective UPase inhibitor that enhances the antitumor activity of 5-FU and exhibits intrinsic cytostatic effects on cancer cells. The chemical formula of the new compound, which binds to the uracil-binding site and, in the presence of a phosphate anion, to the phosphate-binding site of UPase, is proposed and investigated by molecular simulation methods.
About the authors
A. A. Lashkov
Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics”
Author for correspondence.
Email: alashkov83@gmail.com
Russian Federation, Leninskii pr. 59, Moscow, 119333
A. A. Shchekotikhin
Gause Institute of New Antibiotics
Email: alashkov83@gmail.com
Russian Federation, ul. Bol’shaya Pirogovskaya 11, Moscow, 119021
A. A. Shtil
Blokhin Russian Cancer Research Center
Email: alashkov83@gmail.com
Russian Federation, Kashirskoe sh. 23, Moscow, 115478
S. E. Sotnichenko
Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics”
Email: alashkov83@gmail.com
Russian Federation, Leninskii pr. 59, Moscow, 119333
A. M. Mikhailov
Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics”
Email: alashkov83@gmail.com
Russian Federation, Leninskii pr. 59, Moscow, 119333