Existing bitter medicines for fighting 2019‐nCoV‐associated infectious diseases

Li, Xiangqi; Zhang, Chaobao; Liu, Lianyong; Gu, Min

doi:10.1096/fj.202000502

Cited by 42 publications

(33 citation statements)

References 60 publications

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“…4 In the 1990s, histamine-2 receptor antagonists including famotidine were shown to inhibit human immunodeficiency virus replication without affecting lymphocyte viability in vitro. 2,5,6 There are limitations to the study. It was observational, and we cannot exclude the possibility of unmeasured confounders or hidden bias that account for the association between famotidine use and improved outcomes.…”

Section: Resultsmentioning

confidence: 99%

Famotidine Use Is Associated With Improved Clinical Outcomes in Hospitalized COVID-19 Patients: A Propensity Score Matched Retrospective Cohort Study

et al. 2020

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Section: Resultsmentioning

confidence: 99%

Famotidine Use Is Associated With Improved Clinical Outcomes in Hospitalized COVID-19 Patients: A Propensity Score Matched Retrospective Cohort Study

et al. 2020

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“…The protein targets of SARS-CoV-2 included were spike glycoproteins, RdRp, endoribonuclease, nucleocapsid proteins, envelope protein, membrane protein, and non-structural protein and provides new structural insights for drug repurposing of drugs against COVID-19 [ 46 ]. A study suggested that Chloroquine probably used as one of the effective therapeutic agents against SARS-CoV-2 based on host-directed therapy, although there are several studies required to confirm their efficiency [ 47 ]. Chloroquine and Hydroxychloroquine are being used in many countries to treat the infection as these antivirals are known to have inhibited viral entry and endocytosis; however, they have not shown 100% effective responses [ 48 , 49 ].…”

Section: Resultsmentioning

confidence: 99%

Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repurposed drugs

Skariyachan¹,

Gopal

Chakrabarti

et al. 2020

Computers in Biology and Medicine

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The repurposing of FDA approved drugs is presently receiving attention for COVID-19 drug discovery. Previous studies revealed the binding potential of several FDA-approved drugs towards specific targets of SARS-CoV-2; however, limited studies are focused on the structural and molecular basis of interaction of these drugs towards multiple targets of SARS-CoV-2. The present study aimed to predict the binding potential of six FDA drugs towards fifteen protein targets of SARS-CoV-2 and propose the structural and molecular basis of the interaction by molecular docking and dynamic simulation. Based on the literature survey, fifteen potential targets of SARS-CoV-2, and six FDA drugs (Chloroquine, Hydroxychloroquine, Favipiravir, Lopinavir, Remdesivir, and Ritonavir) were selected. The binding potential of individual drug towards the selected targets was predicted by molecular docking in comparison with the binding of the same drugs with their usual targets. The stabilities of the best-docked conformations were confirmed by molecular dynamic simulation and energy calculations. Among the selected drugs, Ritonavir and Lopinavir showed better binding towards the prioritized targets with minimum binding energy (kcal/mol), cluster-RMS, number of interacting residues, and stabilizing forces when compared with the binding of Chloroquine, Favipiravir, and Hydroxychloroquine, later drugs demonstrated better binding when compared to the binding with their usual targets. Remdesvir showed better binding to the prioritized targets in comparison with the binding of Chloroquine, Favipiravir, and Hydroxychloroquine, but showed lesser binding potential when compared to the interaction between Ritonavir and Lopinavir and the prioritized targets. The structural and molecular basis of interactions suggest that the FDA drugs can be repurposed towards multiple targets of SARS-CoV-2, and the present computational models provide insights on the scope of repurposed drugs against COVID-19.

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“…Currently, there is no specific treatment for nCoV . Developing a new drug or vaccine is a major challenge; therefore, other antiviral drugs are fast-tracked for testing against nCoV (Li et al, 2020). Recent studies have shown that nCoV is mutating and evolving frequently (Zhang et al, 2020).…”

Section: Introductionmentioning

confidence: 99%

Analysis of single nucleotide polymorphisms between 2019-nCoV genomes and its impact on codon usage

Gupta

Singh

Paul³

2020

Preprint

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The spread of COVID-19 is a global concern that has taken a toll on entire human health. Researchers across the globe has been working in devising the strategies to combat this dreadful disease. Studies focused on genetic variability helps design effective drugs and vaccines. Considering this, the present study entails the information regarding the genome-wide mutations detected in the 108 SARS CoV-2 genomes worldwide. We identified a few hypervariable regions localized in orf1ab, spike, and nucleocapsid gene. These nucleotide polymorphisms demonstrated their effect on both codon usage as well as amino acid usage pattern. Altogether the present study provides valuable information that would be helpful to ongoing research on 2019-nCoV vaccine development.

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Existing bitter medicines for fighting 2019‐nCoV‐associated infectious diseases

Abstract: The sudden outbreak of COVID-19 has led to more than seven thousand deaths.

Cited by 42 publications

References 60 publications

Famotidine Use Is Associated With Improved Clinical Outcomes in Hospitalized COVID-19 Patients: A Propensity Score Matched Retrospective Cohort Study

Famotidine Use Is Associated With Improved Clinical Outcomes in Hospitalized COVID-19 Patients: A Propensity Score Matched Retrospective Cohort Study

Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repurposed drugs

Analysis of single nucleotide polymorphisms between 2019-nCoV genomes and its impact on codon usage

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