Docking Study of 3-mercapto-1,2,4-triazole Derivatives as Inhibitors for VEGFR and EGFR

Mioc, Marius; Avram, Sorin; Tomescu, Andrei Branco; Chiriac, Daniela Veronica; Heghes, Alina; Voicu, Mirela; Voicu, Adrian; Citu, Cosmin; Kurunczi, Ludovic

Marius Mioc, Sorin Avram, Andrei Branco Tomescu, Daniela Veronica Chiriac, Alina Heghes, Mirela Voicu, Adrian Voicu, Cosmin Citu, Ludovic Kurunczi

Docking Study of 3-mercapto-1,2,4-triazole Derivatives as Inhibitors for VEGFR and EGFR

Abstract:

Computer-aided drug design plays an important role in modern day drug discovery, because it provides a more specific range for active compound chemical synthesis in detriment of the traditional ways of drug discovery. Relevant studies proved that the epidermal growth factor receptor (EGFR) and vascular endothelial growth factor receptor (VEGFR) are important targets for inhibition, in finding new molecules with potential anticancer activity. The aim of the present study was to create a compound library and submit this set of molecules to a docking-based virtual screening process. Molecular docking was carried out using OEDocking HYBRYD, a software with an improved scoring algorithm, which uses a ligand-based scoring function. The obtained results revealed some molecular structures that showed good predicted binding affinity towards their respective protein targets.

Keywords:
EGFR; VEGFR; inhibitor; docking; triazoles

Issue: 2017, Volume 68, Issue 3

Pages: 500-503

Publication date: 2017/4/15

https://doi.org/10.37358/RC.17.3.5487

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

Citation Styles

Cite this article as:
MIOC, M., AVRAM, S., TOMESCU, A.B., CHIRIAC, D.V., HEGHES, A., VOICU, M., VOICU, A., CITU, C., KURUNCZI, L., Docking Study of 3-mercapto-1,2,4-triazole Derivatives as Inhibitors for VEGFR and EGFR, Rev. Chim., 68(3), 2017, 500-503.

Vancouver
Mioc M, Avram S, Tomescu AB, Chiriac DV, Heghes A, Voicu M, Voicu A, Citu C, Kurunczi L. Docking Study of 3-mercapto-1,2,4-triazole Derivatives as Inhibitors for VEGFR and EGFR. Rev. Chim.[internet]. 2017 Mar;68(3):500-503. Available from: https://doi.org/10.37358/RC.17.3.5487

APA 6th edition
Mioc, M., Avram, S., Tomescu, A.B., Chiriac, D.V., Heghes, A., Voicu, M.,... Kurunczi, L. (2017). Docking Study of 3-mercapto-1,2,4-triazole Derivatives as Inhibitors for VEGFR and EGFR. Revista de Chimie, 68(3), 500-503. https://doi.org/10.37358/RC.17.3.5487

Harvard
Mioc, M., Avram, S., Tomescu, A.B., Chiriac, D.V., Heghes, A., Voicu, M., Voicu, A., Citu, C., Kurunczi, L. (2017). 'Docking Study of 3-mercapto-1,2,4-triazole Derivatives as Inhibitors for VEGFR and EGFR', Revista de Chimie, 68(3), pp. 500-503. https://doi.org/10.37358/RC.17.3.5487

IEEE
M. Mioc, S. Avram, A.B. Tomescu, D.V. Chiriac, A. Heghes, M. Voicu, A. Voicu, C. Citu, L. Kurunczi, "Docking Study of 3-mercapto-1,2,4-triazole Derivatives as Inhibitors for VEGFR and EGFR". Revista de Chimie, vol. 68, no. 3, pp. 500-503, 2017. [online]. https://doi.org/10.37358/RC.17.3.5487

Text
Marius Mioc, Sorin Avram, Andrei Branco Tomescu, Daniela Veronica Chiriac, Alina Heghes, Mirela Voicu, Adrian Voicu, Cosmin Citu, Ludovic Kurunczi,
Docking Study of 3-mercapto-1,2,4-triazole Derivatives as Inhibitors for VEGFR and EGFR,
Revista de Chimie,
Volume 68, Issue 3,
2017,
Pages 500-503,
ISSN 2668-8212,
https://doi.org/10.37358/RC.17.3.5487.
(https://revistadechimie.ro/Articles.asp?ID=5487)
Keywords: EGFR; VEGFR; inhibitor; docking; triazoles

RIS
TY - JOUR
T1 - Docking Study of 3-mercapto-1,2,4-triazole Derivatives as Inhibitors for VEGFR and EGFR
A1 - Mioc, Marius
A2 - Avram, Sorin
A3 - Tomescu, Andrei Branco
A4 - Chiriac, Daniela Veronica
A5 - Heghes, Alina
A6 - Voicu, Mirela
A7 - Voicu, Adrian
A8 - Citu, Cosmin
A9 - Kurunczi, Ludovic
JF - Revista de Chimie
JO - Rev. Chim.
PB - Revista de Chimie SRL
SN - 2668-8212
Y1 - 2017
VL - 68
IS - 3
SP - 500
EP - 503
UR - https://doi.org/10.37358/RC.17.3.5487
KW - EGFR
KW - VEGFR
KW - inhibitor
KW - docking
KW - triazoles
ER -

BibTex
@article{RevCh2017P500,
author = {Mioc Marius and Avram Sorin and Tomescu Andrei Branco and Chiriac Daniela Veronica and Heghes Alina and Voicu Mirela and Voicu Adrian and Citu Cosmin and Kurunczi Ludovic},
title = {Docking Study of 3-mercapto-1,2,4-triazole Derivatives as Inhibitors for VEGFR and EGFR},
journal = {Revista de Chimie},
volume = {68},
number = {3},
pages = {500-503},
year = {2017},
issn = {2668-8212},
doi = {https://doi.org/10.37358/RC.17.3.5487},
url = {https://revistadechimie.ro/Articles.asp?ID=5487}
}

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