COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes

Hok, Lucija; Rimac, Hrvoje; Mavri, Janez; Vianello, Robert

doi:10.1016/j.csbj.2022.02.020

Cited by 14 publications

(13 citation statements)

References 79 publications

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“…Such a system underwent the geometry optimization in AMBER 16 [26] with periodic boundary conditions in all directions, followed by a 30 ps equilibration under NTV conditions and a gradual temperature increase from 0 to 300 K. This was, then, submitted to 300 ns of productive and unconstrained MD simulations, with a time step of 2 fs at a constant pressure of 1 atm and temperature of 300 K, employing a threshold of 11.0 Å to truncate the nonbonded interactions. The binding energies between sensor components, ∆G BIND , were obtained through the MM-PBSA analysis [27,28], in line with our recent reports on similar systems [29][30][31], utilizing every second snapshot, 75.000 in total, recorded from the entire MD trajectory.…”

Section: Computational Detailssupporting

confidence: 74%

Potentiometric Surfactant Sensor for Anionic Surfactants Based on 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate

et al. 2022

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As anionic surfactants are used as cleaning agents, they pose an environmental and health threat. A novel potentiometric sensor for anionic surfactants based on the 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate (DODI–TPB) ionophore is presented. The newly developed approach for DODI–TPB synthesis is faster and simpler than the currently used strategies and follows the green chemistry principles. The DODI–TPB ionophore was characterized by computational and instrumental techniques (NMR, LC–MS, FTIR, elemental analysis) and used to produce a PVC-based DODI–TPB sensor. The sensor showed linear response to dodecylbenzenesulfonate and dodecyl sulfate in concentration ranges of 6.3 × 10−7–3.2 × 10−4 M and 5.9 × 10−7–4.1 × 10−3 M, for DBS and SDS, respectively. The sensor exhibits a Nernstian slope (59.3 mV/decade and 58.3 mV/decade for DBS and SDS, respectively) and low detection limits (7.1 × 10−7 M and 6.8 × 10−7 M for DBS and SDS, respectively). The DODI–TPB sensor was successfully tested on real samples of commercial detergents and the results are in agreement with the referent methods. A computational analysis underlined the importance of long alkyl chains in DODI+ and their C–H∙∙∙π interactions with TPB– for the ionophore formation in solution, thereby providing guidelines for the future design of efficient potentiometric sensors.

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Section: Computational Detailssupporting

confidence: 74%

Potentiometric Surfactant Sensor for Anionic Surfactants Based on 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate

et al. 2022

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“…In addition to the above-reported mechanisms of brain damage by SARS-CoV-2, the spike proteins from the wild type (WT) and the South African B.1.351 (SA) variants bind to the monoamine oxidase (MAO) enzymes with an affinity comparable to that for ACE2 ( Hok et al, 2022 ). This binding of the spike protein could change the affinities of MAO A (serotonin-preferring) and MAO B (dopamine preferring) enzymes for their neurotransmitter substrates, misbalancing their levels, and suggesting that the interference with the brain MAO catalytic activity is responsible for the increased neurodegenerative illnesses following a COVID-19 infection ( Hok et al, 2022 ).…”

Section: Neurologic Manifestations Of Human Coronavirus Infectionmentioning

confidence: 99%

Neurologic complications of coronavirus and other respiratory viral infections

Cavallieri

Sellner

Zedde

et al. 2022

Handbook of Clinical Neurology

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“…Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a positive-sense single-stranded RNA virus that causes severe pneumonia and acute respiratory distress syndrome. 25,67,68 The disease it causes has been named coronavirus disease 2019 (COVID-19), and it manifests as a respiratory illness as well as affecting cardiovascular, renal, and nervous system functions. 25,67,68 The incidence of neurological manifestations in patients with COVID-19 is of increasing concern, given the acute and long-term impacts of SARS-CoV-2 on the CNS.…”

Section: Severe Acute Respiratory Syndrome Coronavirus 2 Infectionmentioning

confidence: 99%

Virus infection participates in the occurrence and development of human diseases through monoamine oxidase

Sun

Wen

Luo

2023

Reviews in Medical Virology

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Monoamine oxidase (MAO) is a membrane‐bound mitochondrial enzyme that maintains the steady state of neurotransmitters and other biogenic amines in biological systems through catalytic oxidation and deamination. MAO dysfunction is closely related to human neurological and psychiatric diseases and cancers. However, little is known about the relationship between MAO and viral infections in humans. This review summarises current research on how viral infections participate in the occurrence and development of human diseases through MAO. The viruses discussed in this review include hepatitis C virus, dengue virus, severe acute respiratory syndrome coronavirus 2, human immunodeficiency virus, Japanese encephalitis virus, Epstein‐Barr virus, and human papillomavirus. This review also describes the effects of MAO inhibitors such as phenelzine, clorgyline, selegiline, M‐30, and isatin on viral infectious diseases. This information will not only help us to better understand the role of MAO in the pathogenesis of viruses but will also provide new insights into the treatment and diagnosis of these viral diseases.

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COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes

Cited by 14 publications

References 79 publications

Potentiometric Surfactant Sensor for Anionic Surfactants Based on 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate

Potentiometric Surfactant Sensor for Anionic Surfactants Based on 1,3-dioctadecyl-1H-imidazol-3-ium tetraphenylborate

Neurologic complications of coronavirus and other respiratory viral infections

Virus infection participates in the occurrence and development of human diseases through monoamine oxidase

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