Investigating Potential Inhibitory Effect of &lt;em&gt;Uncaria tomentosa&lt;/em&gt; (Cat's claw) against the Main Protease 3CL&lt;sup&gt;Pro&lt;/sup&gt; of SARS-CoV-2 by Molecular Modeling

Yepes-Pérez, Andres F.; Herrera-Calderon, Oscar; Sánchez-Aparicio, José-Emilio; Tiessler-Sala, Laura; Maréchal, Jean‐Didier; Cardona‐G, Wilson

doi:10.20944/preprints202006.0326.v1

Cited by 3 publications

(1 citation statement)

References 52 publications

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“…ex Schult.) DC, known as cat's claw, exhibits 3CLPro inhibitory activity as found by molecular docking analysis (Yepes-Pérez et al, 2020). Isolated phytochemicals such as cadambine, speciophylline, and proanthocyanidin of Uncaria tomentosa effectively interacted with 3CLpro.…”

Section: Inhibition Of Sars-cov Mpro Plpro 3clpro and Related Proteasesmentioning

confidence: 90%

Anti–SARS-CoV-2 Natural Products as Potentially Therapeutic Agents

Kim

2021

Front. Pharmacol.

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Severe acute respiratory syndrome–related coronavirus-2 (SARS-CoV-2), a β-coronavirus, is the cause of the recently emerged pandemic and worldwide outbreak of respiratory disease. Researchers exchange information on COVID-19 to enable collaborative searches. Although there is as yet no effective antiviral agent, like tamiflu against influenza, to block SARS-CoV-2 infection to its host cells, various candidates to mitigate or treat the disease are currently being investigated. Several drugs are being screened for the ability to block virus entry on cell surfaces and/or block intracellular replication in host cells. Vaccine development is being pursued, invoking a better elucidation of the life cycle of the virus. SARS-CoV-2 recognizes O-acetylated neuraminic acids and also several membrane proteins, such as ACE2, as the result of evolutionary switches of O-Ac SA recognition specificities. To provide information related to the current development of possible anti–SARS-COV-2 viral agents, the current review deals with the known inhibitory compounds with low molecular weight. The molecules are mainly derived from natural products of plant sources by screening or chemical synthesis via molecular simulations. Artificial intelligence–based computational simulation for drug designation and large-scale inhibitor screening have recently been performed. Structure–activity relationship of the anti–SARS-CoV-2 natural compounds is discussed.

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Section: Inhibition Of Sars-cov Mpro Plpro 3clpro and Related Proteasesmentioning

confidence: 90%

Anti–SARS-CoV-2 Natural Products as Potentially Therapeutic Agents

Kim

2021

Front. Pharmacol.

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A study on the effect of natural products against the transmission of B.1.1.529 Omicron

Alkafaas,

Abdallah,

Hussien

et al. 2023

Virol J

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Background The recent outbreak of the Coronavirus pandemic resulted in a successful vaccination program launched by the World Health Organization. However, a large population is still unvaccinated, leading to the emergence of mutated strains like alpha, beta, delta, and B.1.1.529 (Omicron). Recent reports from the World Health Organization raised concerns about the Omicron variant, which emerged in South Africa during a surge in COVID-19 cases in November 2021. Vaccines are not proven completely effective or safe against Omicron, leading to clinical trials for combating infection by the mutated virus. The absence of suitable pharmaceuticals has led scientists and clinicians to search for alternative and supplementary therapies, including dietary patterns, to reduce the effect of mutated strains. Main body This review analyzed Coronavirus aetiology, epidemiology, and natural products for combating Omicron. Although the literature search did not include keywords related to in silico or computational research, in silico investigations were emphasized in this study. Molecular docking was implemented to compare the interaction between natural products and Chloroquine with the ACE2 receptor protein amino acid residues of Omicron. The global Omicron infection proceeding SARS-CoV-2 vaccination was also elucidated. The docking results suggest that DGCG may bind to the ACE2 receptor three times more effectively than standard chloroquine. Conclusion The emergence of the Omicron variant has highlighted the need for alternative therapies to reduce the impact of mutated strains. The current review suggests that natural products such as DGCG may be effective in binding to the ACE2 receptor and combating the Omicron variant, however, further research is required to validate the results of this study and explore the potential of natural products to mitigate COVID-19. Graphical abstract

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Beta-Sitosterol and Its Antinociceptive Mechanism Action

Sakul¹,

Okur²

2021

Ankara Universitesi Eczacilik Fakultesi Dergisi

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Objective: In this study, the possible central antinociceptive activity of beta-sitosterol is investigated along with its association of stimulation of opioidergic, serotonergic, adrenergic, and cholinergic receptors to mice central analgesia because of the beta-sitosterol administration.Material and Method: The beta-sitosterol was administrated to mice in various doses, such as 5, 10 and 20 mg/kg. Then, the mice analyzed via hot-plate and tail-flick assay to investigate the possible antinociceptive effects of beta-sitosterol. Additionally, in order to associate the mechanism of action mechanism, 20 mg/kg of beta-sitosterol was intraperitoneally administered to the animal which were previously pre-treated with opioid antagonist naloxone (5 mg/kg), serotonin 5-HT2A/2C receptor antagonist ketanserin (1 mg/kg), serotonin 5-HT3 receptor antagonist -ondansetron (1 mg/kg), α2-adrenoceptor antagonist yohimbine (1 mg/kg) and muscarinic antagonist atropine (5 mg/kg), as well as nicotinic antagonist mecamylamine (1 mg/kg).Result and Discussion: The antinociceptive effect of beta-sitosterol was confirmed as dose-dependent for 5, 10, and 20 mg/kg doses in tail-flick and hot-plate tests. It can be concluded that beta-sitosterol promotes central antinociception effects associated with the spinal and supraspinal mediated cholinergic and opioidergic modulation.

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Investigating Potential Inhibitory Effect of <em>Uncaria tomentosa</em> (Cat's claw) against the Main Protease 3CL<sup>Pro</sup> of SARS-CoV-2 by Molecular Modeling

Cited by 3 publications

References 52 publications

Anti–SARS-CoV-2 Natural Products as Potentially Therapeutic Agents

Anti–SARS-CoV-2 Natural Products as Potentially Therapeutic Agents

A study on the effect of natural products against the transmission of B.1.1.529 Omicron

Beta-Sitosterol and Its Antinociceptive Mechanism Action

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