Binding Affinity of 17-b-ethinylestradiol to Normal and Mutant Types of Estrogen Receptors An in silico evaluation

Cheverasan, Adelina; Mioc, Marius; Simu, Sebastian; Soica, Codruta; Dehelean, Cristina; Szasz, Florin; Navolan, Dan; Poenaru, Marioara

Adelina Cheverasan, Marius Mioc, Sebastian Simu, Codruta Soica, Cristina Dehelean, Florin Szasz, Dan Navolan, Marioara Poenaru

Binding Affinity of 17-b-ethinylestradiol to Normal and Mutant Types of Estrogen Receptors An in silico evaluation

Abstract:

Estrogen receptors (ERs)are nuclear transcription factor receptorsthat play important roles in gene expression and cell cycle regulation. Because of their ligand-activated signaling implication in carcinogenesis,ERs are extensively researched as protein targets for anti-cancer drug discovery active in certain types of tumors. However, a major drawback is the emergence of wild type tumors withoverexpressed mutant variants of ER, which become resistant to estrogen inhibitor drugs. Herein we studied the binding mode and affinity of the semisynthetic estrogen agonist, 17-b-estradiol (E2) in normal and mutant variants of ERs, by means of molecular docking. Our results showed a small decrease in binding affinity, recorded in mutant variants of ERa and a change in the binding interactions formed when the compound wasdocked in an agonist-bound conformation of the ERa . Nevertheless we concluded that even if the binding affinity showed a small decrease in the case of mutant type receptors,E2 potency towards ERáwon’t register a downward trend.

Keywords:
ethinylestradiol; estrogen receprors; mutantion; docking

Issue: 2018, Volume 69, Issue 8

Pages: 2067-2070

Publication date: 2018/9/15

https://doi.org/10.37358/RC.18.8.6475

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This article is published under the Creative Commons Attribution 4.0 International License

Citation Styles

Cite this article as:
CHEVERASAN, A., MIOC, M., SIMU, S., SOICA, C., DEHELEAN, C., SZASZ, F., NAVOLAN, D., POENARU, M., Binding Affinity of 17-b-ethinylestradiol to Normal and Mutant Types of Estrogen Receptors An in silico evaluation, Rev. Chim., 69(8), 2018, 2067-2070.

Vancouver
Cheverasan A, Mioc M, Simu S, Soica C, Dehelean C, Szasz F, Navolan D, Poenaru M. Binding Affinity of 17-b-ethinylestradiol to Normal and Mutant Types of Estrogen Receptors An in silico evaluation. Rev. Chim.[internet]. 2018 Aug;69(8):2067-2070. Available from: https://doi.org/10.37358/RC.18.8.6475

APA 6th edition
Cheverasan, A., Mioc, M., Simu, S., Soica, C., Dehelean, C., Szasz, F., Navolan, D. & Poenaru, M. (2018). Binding Affinity of 17-b-ethinylestradiol to Normal and Mutant Types of Estrogen Receptors An in silico evaluation. Revista de Chimie, 69(8), 2067-2070. https://doi.org/10.37358/RC.18.8.6475

Harvard
Cheverasan, A., Mioc, M., Simu, S., Soica, C., Dehelean, C., Szasz, F., Navolan, D., Poenaru, M. (2018). 'Binding Affinity of 17-b-ethinylestradiol to Normal and Mutant Types of Estrogen Receptors An in silico evaluation', Revista de Chimie, 69(8), pp. 2067-2070. https://doi.org/10.37358/RC.18.8.6475

IEEE
A. Cheverasan, M. Mioc, S. Simu, C. Soica, C. Dehelean, F. Szasz, D. Navolan, M. Poenaru, "Binding Affinity of 17-b-ethinylestradiol to Normal and Mutant Types of Estrogen Receptors An in silico evaluation". Revista de Chimie, vol. 69, no. 8, pp. 2067-2070, 2018. [online]. https://doi.org/10.37358/RC.18.8.6475

Text
Adelina Cheverasan, Marius Mioc, Sebastian Simu, Codruta Soica, Cristina Dehelean, Florin Szasz, Dan Navolan, Marioara Poenaru,
Binding Affinity of 17-b-ethinylestradiol to Normal and Mutant Types of Estrogen Receptors An in silico evaluation,
Revista de Chimie,
Volume 69, Issue 8,
2018,
Pages 2067-2070,
ISSN 2668-8212,
https://doi.org/10.37358/RC.18.8.6475.
(https://revistadechimie.ro/Articles.asp?ID=6475)
Keywords: ethinylestradiol; estrogen receprors; mutantion; docking

RIS
TY - JOUR
T1 - Binding Affinity of 17-b-ethinylestradiol to Normal and Mutant Types of Estrogen Receptors An in silico evaluation
A1 - Cheverasan, Adelina
A2 - Mioc, Marius
A3 - Simu, Sebastian
A4 - Soica, Codruta
A5 - Dehelean, Cristina
A6 - Szasz, Florin
A7 - Navolan, Dan
A8 - Poenaru, Marioara
JF - Revista de Chimie
JO - Rev. Chim.
PB - Revista de Chimie SRL
SN - 2668-8212
Y1 - 2018
VL - 69
IS - 8
SP - 2067
EP - 2070
UR - https://doi.org/10.37358/RC.18.8.6475
KW - ethinylestradiol
KW - estrogen receprors
KW - mutantion
KW - docking
ER -

BibTex
@article{RevCh2018P2067,
author = {Cheverasan Adelina and Mioc Marius and Simu Sebastian and Soica Codruta and Dehelean Cristina and Szasz Florin and Navolan Dan and Poenaru Marioara},
title = {Binding Affinity of 17-b-ethinylestradiol to Normal and Mutant Types of Estrogen Receptors An in silico evaluation},
journal = {Revista de Chimie},
volume = {69},
number = {8},
pages = {2067-2070},
year = {2018},
issn = {2668-8212},
doi = {https://doi.org/10.37358/RC.18.8.6475},
url = {https://revistadechimie.ro/Articles.asp?ID=6475}
}

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