Interaction of dihydrofuran-2-one and its derivatives with either MAO-B or COMT enzymes using a theoretical model

Authors

  • Lauro Figueroa-Valverde Laboratory of Pharmaco-Chemistry, Faculty of Chemical Biological Sciences, University Autonomous of Campeche, Av. Agustín Melgar s/n, Col Buenavista C.P. 24039 Campeche, Camp., México https://orcid.org/0000-0001-8056-9069
  • Marcela Rosas-Nexticapa Faculty of Nutrition, University Veracruzana, Médicos y Odontologos s/n C.P. 91010, Unidad del Bosque Xalapa Veracruz, México https://orcid.org/0000-0001-7119-4728
  • Magdalena Alvarez-Ramirez Faculty of Nutrition, University Veracruzana, Médicos y Odontologos s/n C.P. 91010, Unidad del Bosque Xalapa Veracruz, México https://orcid.org/0000-0003-0046-4342
  • Emilio Aguilar-Sanchez Facultad de Medicina, Universidad Veracruzana, Médicos y Odontologos s/n C.P. 91010, Unidad del Bosque Xalapa Veracruz, México https://orcid.org/0009-0003-9873-7253
  • Maria Virginia Mateu-Armad Faculty of Nutrition, University Veracruzana, Médicos y Odontologos s/n C.P. 91010, Unidad del Bosque Xalapa Veracruz, México https://orcid.org/0000-0003-3283-0001

DOI:

https://doi.org/10.14295/bjs.v3i10.634

Keywords:

Parkinson´s, MAO-B, COMT, dihydrofuran-2-one, derivative, tolcapone

Abstract

There are several drugs for treating Parkinson's such as L-Dopa, carbidopa, benserazide, entacapone, bromocriptine, safinamide, rasagiline, and others. However, some of these drugs can produce some secondary effects such as hypotension, insomnia, dizziness, nausea, and constipation. In the search for a new therapeutic alternative for treating Parkinson´s, this study aimed to evaluate the theoretical interaction of Dehydrofuran-2-one (1) and their derivatives (2-31) with both MAO-B and COMT enzymes. To evaluate the interaction of Dehydrofuran-2-one (1) and their derivatives (2-31) with both MAO-B and COMT enzymes, the 1gos and 1vid proteins as theoretical tools. Besides, some drugs, such as selegiline, rasagiline, safinamide, entacapone, and tolcapone, were used as controls in the DockingServer program. The results showed differences in the interaction of compounds 1-31 with either 1gos or 1vid proteins surface compared to the controls. Other data showed that inhibition constants (Ki) for 2, 3, 12, and 26 were lower compared to selegeline, rosagiline, and sofinamide, respectively. In addition, the Ki for 1-3, 7, 9, 10, 13, 21, and 25 were lower than entacapone and tolcapone. These data suggest that 1-3, 12, and 26 could act as MAO-B inhibitors and compounds 1-3, 7, 9, 10, 13, 21, and 26 as COMT antagonists. In conclusion, these compounds may be a good therapeutic alternative for treating Parkinson´s disease.

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2024-08-01

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Figueroa-Valverde, L., Rosas-Nexticapa, M., Alvarez-Ramirez, M., Aguilar-Sanchez, E., & Mateu-Armad, M. V. (2024). Interaction of dihydrofuran-2-one and its derivatives with either MAO-B or COMT enzymes using a theoretical model. Brazilian Journal of Science, 3(10), 28–44. https://doi.org/10.14295/bjs.v3i10.634

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Vol. 3 No. 10 (2024): Brazilian Journal of Science

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Health Sciences

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Copyright (c) 2024 Lauro Figueroa-Valverde, Marcela Rosas-Nexticapa, Magdalena Alvarez-Ramirez, Emilio Aguilar-Sanchez, Maria Virginia Mateu-Armad

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