Informatics in Medicine Unlocked (Jan 2020)

Catechins modulate the activity of mu opioid receptor (μOR): An in silico approach

  • Miguel Ortiz-Flores,
  • Andrés Portilla-Martínez,
  • Cristian González-Ruiz,
  • Francisco Villarreal,
  • Eduardo Meaney,
  • Nayelli Nájera,
  • Guillermo Ceballos

Journal volume & issue
Vol. 20
p. 100431

Abstract

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Treating addiction and withdrawal syndrome remains a research area of great interest since it is a persistent public health problem. Opiates account for the majority of addiction and withdrawal problems (at least 56% of reported people who consume drugs). Development of opiate addiction results mainly from activation of the mu-opioid receptor (MOR), and this entity is identified as a major target for the treatment of addiction and withdrawal syndrome. Based on our in silico analysis and calculations of binding energy, conformations adopted by catechins and contacts reached by ligand conformations could explain why opiates are capable of activating both β-arrestin and G-protein biased pathways, and therefore help to explain the phenomenon of tolerance, we can conclude that the family of catechins explored seem to be excellent modulators of the MOR.

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