Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method

Florescu, Cristina; Rotaru, Luciana Teodora; Varut, Renata Maria; Grigorasi, Gabriela; Kostici, Roxana; Ciobanu, Daniela; Cimpoesu, Diana

Cristina Florescu, Luciana Teodora Rotaru, Renata Maria Varut, Gabriela Grigorasi, Roxana Kostici, Daniela Ciobanu, Diana Cimpoesu

Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method

Abstract:

Statins are a class of lipid-lowering medications that reduce cardiovascular disease and mortality in pacients who are at high risk. The molecular docking technique has become an increasingly important tool for drug discovery which help us understand the most stable conformations resulting from ligand-active site of the biological receptor interaction. Partial atomic charges was determined for each molecule showing that the interaction of statins with the receptor is through areas of increased electronic density. The present molecular docking study using Autodock 4.2 was conducted in order to achieve accurate predictions of the best way for bonding and minimum bonding energy, method being applied for five statins drugs as potential inhibitors of HMG-CoA reductase enzyme. The results highlight that simvastatin represent the best inhibitory drug of HMG-CoA reductase enzyme, because the complex simvastatin-enzyme has the lowest binding energy value.

Keywords:
molecular docking; statins; hmg co A reductase

Issue: 2018, Volume 69, Issue 4

Pages: 837-839

Publication date: 2018/5/15

https://doi.org/10.37358/RC.18.4.6210

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

Citation Styles

Cite this article as:
FLORESCU, C., ROTARU, L.T., VARUT, R.M., GRIGORASI, G., KOSTICI, R., CIOBANU, D., CIMPOESU, D., Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method, Rev. Chim., 69(4), 2018, 837-839.

Vancouver
Florescu C, Rotaru LT, Varut RM, Grigorasi G, Kostici R, Ciobanu D, Cimpoesu D. Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method. Rev. Chim.[internet]. 2018 Apr;69(4):837-839. Available from: https://doi.org/10.37358/RC.18.4.6210

APA 6th edition
Florescu, C., Rotaru, L.T., Varut, R.M., Grigorasi, G., Kostici, R., Ciobanu, D. & Cimpoesu, D. (2018). Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method. Revista de Chimie, 69(4), 837-839. https://doi.org/10.37358/RC.18.4.6210

Harvard
Florescu, C., Rotaru, L.T., Varut, R.M., Grigorasi, G., Kostici, R., Ciobanu, D., Cimpoesu, D. (2018). 'Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method', Revista de Chimie, 69(4), pp. 837-839. https://doi.org/10.37358/RC.18.4.6210

IEEE
C. Florescu, L.T. Rotaru, R.M. Varut, G. Grigorasi, R. Kostici, D. Ciobanu, D. Cimpoesu, "Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method". Revista de Chimie, vol. 69, no. 4, pp. 837-839, 2018. [online]. https://doi.org/10.37358/RC.18.4.6210

Text
Cristina Florescu, Luciana Teodora Rotaru, Renata Maria Varut, Gabriela Grigorasi, Roxana Kostici, Daniela Ciobanu, Diana Cimpoesu,
Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method,
Revista de Chimie,
Volume 69, Issue 4,
2018,
Pages 837-839,
ISSN 2668-8212,
https://doi.org/10.37358/RC.18.4.6210.
(https://revistadechimie.ro/Articles.asp?ID=6210)
Keywords: molecular docking; statins; hmg co A reductase

RIS
TY - JOUR
T1 - Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method
A1 - Florescu, Cristina
A2 - Rotaru, Luciana Teodora
A3 - Varut, Renata Maria
A4 - Grigorasi, Gabriela
A5 - Kostici, Roxana
A6 - Ciobanu, Daniela
A7 - Cimpoesu, Diana
JF - Revista de Chimie
JO - Rev. Chim.
PB - Revista de Chimie SRL
SN - 2668-8212
Y1 - 2018
VL - 69
IS - 4
SP - 837
EP - 839
UR - https://doi.org/10.37358/RC.18.4.6210
KW - molecular docking
KW - statins
KW - hmg co A reductase
ER -

BibTex
@article{RevCh2018P837,
author = {Florescu Cristina and Rotaru Luciana Teodora and Varut Renata Maria and Grigorasi Gabriela and Kostici Roxana and Ciobanu Daniela and Cimpoesu Diana},
title = {Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method},
journal = {Revista de Chimie},
volume = {69},
number = {4},
pages = {837-839},
year = {2018},
issn = {2668-8212},
doi = {https://doi.org/10.37358/RC.18.4.6210},
url = {https://revistadechimie.ro/Articles.asp?ID=6210}
}

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