The evaluation of curcumin and analogues as potential inhibitors of the urease enzyme

Authors

  • Débora Pereira Araujo Universidade Federal do Espírito Santo, CEUNES - Centro Universitário Norte do Espírito Santo.
  • Emanuel Henrique da Silva Universidade Federal do Espírito Santo, CEUNES - Centro Universitário Norte do Espírito Santo.

DOI:

https://doi.org/10.47456/bjpe.v7i5.35896

Keywords:

Curcumin, urease inhibitor, docking molecular

Abstract

Ureases are enzymes that catalyze the hydrolysis of urea into carbon dioxide, ammonia and water. The hydrolysis of urea plays an important role on nitrogen cycle, once it provides such element for the growth of microorganisms and plants. However, the excessive action of the urease leads to several problems in living microorganisms, and it can cause economic and environmental damages as well. Urease inhibitors can be a good alternative for the treatment of diseases caused by pathogenic microorganisms, which are dependents on the urease enzyme. The Curcumin, a natural product from the curcuma longa, known in Brazil as saffron, has a structure capable of complexing metals, which makes it a potential inhibitor of metalloproteins just like the urease. For such reason, this work aimed to evaluate the potential of interaction of the curcumin and eleven analogues with the active site of the urease enzyme, using the Autodock and Mopac2016 programs for that. Based on the results, it was observed that nine compounds showed a better interaction with the active site of the urease enzyme when compared to the urea substrate, presenting then binding energies between -7,24 and -5,12 kcal/mol, while the urea presented such energy equals to -4,10 kcal/mol. The curcumin got the fifth position by presenting a binding energy equals to -6,21 kcal/mol, demonstrating a greater potential for being used as urease enzyme inhibitor.

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Author Biographies

Débora Pereira Araujo, Universidade Federal do Espírito Santo, CEUNES - Centro Universitário Norte do Espírito Santo.

Bachelor in Chemistry from the Federal University of Juiz de Fora (2008). He holds a master's degree (2011) and a doctorate (2015) in Science-Chemistry, with an emphasis on Organic Chemistry, from the Federal University of Minas Gerais. She worked as a researcher at the Center for Development, Innovation, Science and Technology (CDICT) developing new products for in vitro diagnostics. She is an Adjunct Professor at the Department of Natural Sciences at the Federal University of Espírito Santo, Campus São Mateus (CEUNES). She has experience in organic synthesis, medicinal and biological chemistry. ReserchID O-8626-2018 (Text provided by the author)

Emanuel Henrique da Silva, Universidade Federal do Espírito Santo, CEUNES - Centro Universitário Norte do Espírito Santo.

Graduating in Pharmacy at the Federal University of Espírito Santo (UFES), Centro Universitário Norte Do Espírito Santo (CEUNES) Participating in the research group: Organic Synthesis of Curcuminoids, Molecular Docking and Evaluation of Enzyme Inhibition. Internship Experience: Hospital Pharmacy at Hospital Maternidade de São Mateus; Treatment of Blood Components at the São Mateus Regional Blood Center (HEMOES-SM) (Text provided by the author)

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Published

2021-10-14

How to Cite

Araujo, D. P., & Silva, E. H. da. (2021). The evaluation of curcumin and analogues as potential inhibitors of the urease enzyme. Brazilian Journal of Production Engineering, 7(5), 17–29. https://doi.org/10.47456/bjpe.v7i5.35896

Issue

Vol. 7 No. 5 (2021): Número Regular (Outubro - Dezembro)

Section

SCIENTIFIC RESEARCH

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