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

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

doi:10.1016/j.imu.2020.100431

Cited by 2 publications

(4 citation statements)

References 22 publications

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“…The grid box for a blind docking assay was placed in the receptor center with coordinates at x = 24.096, y = 62.263, and z = 11.917; dimensions of x = 50, y = 60, and z = 50 were obtained based on the center of the protein. Following this, 1000 independent replicates were performed with the Vina software [ 57 ] using a previously described script written in Shell [ 58 ] to facilitate the work with each ligand. Then, based on the ligand coordinates, the receptor-binding site was calculated, and the most frequent interaction site was defined and established as the most favorable conformation.…”

Section: Methodsmentioning

confidence: 99%

(-)-Epicatechin Is a Biased Ligand of Apelin Receptor

Portilla-Martínez,

Ortiz-Flores,

Meaney

et al. 2022

IJMS

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(-)-Epicatechin (EC) is part of a large family of biomolecules called flavonoids and is widely distributed in the plant kingdom. Several studies have shown the beneficial effects of EC consumption. Many of these reported effects are exerted by activating the signaling pathways associated with the activation of two specific receptors: the G protein-coupled estrogen receptor (GPER), a transmembrane receptor, and the pregnane X receptor (PXR), which is a nuclear receptor. However, the effects of EC are so diverse that these two receptors cannot describe the complete phenomenon. The apelin receptor or APLNR is classified within the G protein-coupled receptor (GPCR) family, and is capable of activating the G protein canonical pathways and the β-arrestin transducer, which participates in the phenomenon of receptor desensitization and internalization. β-arrestin gained interest in selective pharmacology and mediators of the so-called “biased agonism”. With molecular dynamics (MD) and in vitro assays, we demonstrate how EC can recruit the β-arrestin in the active conformation of the APLN receptor acting as a biased agonist.

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Section: Methodsmentioning

confidence: 99%

(-)-Epicatechin Is a Biased Ligand of Apelin Receptor

Portilla-Martínez,

Ortiz-Flores,

Meaney

et al. 2022

IJMS

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“…75,76 Besides hydroxyl group interactions, the flavonoid structure behaves as an opioid receptor ligand too, where C2 and C3 positions play an essential role in antagonist activity and selectivity. 75 In silico modeling studies performed on catechin (polyphenolic compound), naloxone and fentanyl revealed that these compounds are good modulators of the orthosteric sites of MOR as they have comparable binding energies, interaction and conformations, 76 and thus act on the same receptors. 77 However, the pain induced by peripheral neuropathy, chronic diseases, and drug abuse are different and vary in terms of the receptor involved.…”

Section: Natural Derivatives As An Alternative For Opioid Overdosementioning

confidence: 99%

“…All polyphenols (flavonoid or non-flavonoid) share a similar structure of 2 benzene rings, multiple double bonds, or a pyran ring, along with single to multiple hydroxyl groups. These compounds possess the fundamental characteristics to bind to MOR. , Besides hydroxyl group interactions, the flavonoid structure behaves as an opioid receptor ligand too, where C2 and C3 positions play an essential role in antagonist activity and selectivity and thus act on the same receptors .…”

Section: Natural Derivatives As An Alternative For Opioid Overdosementioning

confidence: 99%

“…These compounds possess the fundamental characteristics to bind to MOR. , Besides hydroxyl group interactions, the flavonoid structure behaves as an opioid receptor ligand too, where C2 and C3 positions play an essential role in antagonist activity and selectivity and thus act on the same receptors . However, the pain induced by peripheral neuropathy, chronic diseases, and drug abuse are different and vary in terms of the receptor involved.…”

Section: Natural Derivatives As An Alternative For Opioid Overdosementioning

confidence: 99%

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Nanotechnology-Enhanced Naloxone and Alternative Treatments for Opioid Addiction

Heyns,

Faunce,

Mumba

et al. 2024

ACS Pharmacol. Transl. Sci.

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Opioids are commonly prescribed to address intense, ongoing pain associated with cancer, as well as long-lasting noncancer-related pain when alternative methods have proven ineffective. Individuals who exhibit both chronic pain and misuse of opioids face a significant danger of experiencing adverse health outcomes and the potential loss of life related to opioid use. Thus, there is a current movement to prescribe naloxone to those considered high-risk for opioid overdose. Naloxone has been explored as an antidote to reverse acute respiratory depression. Conversely, naloxone can give rise to other problems, including hypertension and cardiac arrhythmias. Thus, the importance of nanotechnology-enabled drug delivery strategies and their role in mitigating naloxone side-effects are significant. In this review, we explore the latest advancements in nanotechnology-enabled naloxone and alternative methods for addressing the opioid crisis through the utilization of non-opioid natural alternatives for chronic pain management.

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

Cited by 2 publications

References 22 publications

(-)-Epicatechin Is a Biased Ligand of Apelin Receptor

(-)-Epicatechin Is a Biased Ligand of Apelin Receptor

Nanotechnology-Enhanced Naloxone and Alternative Treatments for Opioid Addiction

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