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Computational Studies of Hydroxychloroquine and Chloroquine Metabolites as Possible Candidates for Coronavirus (COVID-19) Treatment.

ABSTRACT: The coronavirus disease 2019 or COVID-19 pandemic is claiming many lives, impacting the health and livelihoods of billions of people worldwide and causing global economic havoc. As a novel disease with protean manifestations, it has pushed the scientific community into a frenzy to find a cure. The chloroquine class of compounds, used for decades for their antimalarial activity, have been well characterized. Hydroxychloroquine (HCQ), a less toxic metabolite of chloroquine, is used to treat rheumatic diseases such as systemic lupus erythematosus (SLE), rheumatoid arthritis (RA), juvenile idiopathic arthritis (JIA), and Sjögren's syndrome. Preliminary studies in non-randomized clinical trials point to the possible use of chloroquine and its derivatives in the treatment of coronavirus. However, more robust clinical studies carried out in the United States, Italy, Australia, and China have shown mixed and inconclusive results and indicate the need for additional research. Cardiac, neurological, and retinal toxicity as well as increasing parasite resistance to these drugs is a major hindrance for their use in a world that is already dealing with antimicrobial resistance (AMR). In this context, we chose to study the monoquinoline analogs of 4-aminoquinoline as well as their metabolites which have the same mechanism of action albeit with lower toxicity. All the compounds were extensively studied computationally using docking, cheminformatics, and toxicity prediction tools. Based on the docking scores against ACE (angiotensin-converting enzyme) receptors and the toxicity data computed by employing the chemical analyzer module by ViridisChem^™ Inc., the work reveals significant findings that can help in the process of use of these metabolites against coronavirus.

SUBMITTER: Vaidya NA

PROVIDER: S-EPMC7751693 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature

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Computational Studies of Hydroxychloroquine and Chloroquine Metabolites as Possible Candidates for Coronavirus (COVID-19) Treatment.

Vaidya Niteen A NA Vyas Renu R

Frontiers in pharmacology 20201112

The coronavirus disease 2019 or COVID-19 pandemic is claiming many lives, impacting the health and livelihoods of billions of people worldwide and causing global economic havoc. As a novel disease with protean manifestations, it has pushed the scientific community into a frenzy to find a cure. The chloroquine class of compounds, used for decades for their antimalarial activity, have been well characterized. Hydroxychloroquine (HCQ), a less toxic metabolite of chloroquine, is used to treat rheuma ...[more]

PMID: 33364944

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Project description:IntroductionGiven the current lack of an approved and effective treatment or vaccine for severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), repositioning old drugs for use as an antiviral treatment is an interesting strategy because knowledge about these drugs' safety profile, posology, and drug interactions is already known. Chloroquine and hydroxychloroquine, widely used as antimalarial and autoimmune disease drugs, have recently been reported as a potential broad-spectrum antiviral drug.BackgroundThe in vitro antiviral activity of chloroquine has been identified since the late 1960s. However, antiviral mechanisms of chloroquine remain speculative. Several clinical trials have been conducted to test the efficacy and safety of chloroquine or hydroxychloroquine in the treatment of COVID-19-associated pneumonia. The quality of the studies and the outcomes are evaluated in this systematic review and meta-analysis.Review resultsLiterature review revealed 23 clinical studies. Only 9 of 23 studies were randomized controlled trials. Of nine randomized controlled trials, only study by Skipper et al. was deemed to be at low risk of bias. All studies evaluated variedwith different outcomes. Mechanical ventilation and virological clearance were the only common outcomes evaluated in more than two studies. Virological clearance odds ratio (OR) was 1.25 (95% confidence interval [CI] of 0.57-2.73; Chi2 = 0.83; I2 = 0%). GRADE quality of evidence was downgraded by three levels to very low due to concerns about the risk of bias, inconsistency, and imprecision. For mechanical ventilation, OR was 1.09 (95% CI 0.80-1.50; Chi2 = 0; I2 = 0). GRADE quality of evidence was downgraded by two levels to low due to concerns about the risk of bias and imprecision. There was no statistically significant difference between the groups for these two outcomes.ConclusionAs per the available evidence, based on our review, we conclude that hydroxychloroquine/chloroquine has not shown to be beneficial when used for the treatment of patients with COVID-19 pneumonia.How to cite this articleShetty RM, Namachivayam A. Evidence for Chloroquine/Hydroxychloroquine in the Treatment of COVID-19. Indian J Crit Care Med 2021;25(4):441-452.

Dataset Information

Computational Studies of Hydroxychloroquine and Chloroquine Metabolites as Possible Candidates for Coronavirus (COVID-19) Treatment.

Publications

Computational Studies of Hydroxychloroquine and Chloroquine Metabolites as Possible Candidates for Coronavirus (COVID-19) Treatment.

Similar Datasets

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