Potential Therapeutic Agents for COVID-19 Based on the Analysis of Protease and RNA Polymerase Docking

Chang, Yu Chuan; Tung, Yen-Ting; Lee, Kyung Hwa; Chen, T; Hsiao, Yu Cheng; Chang, Hong; Hsieh, Tar‐Hwa; Su, Chunxia; Wang, S; J, Yu; Shih, Shin Ru; Lin, Yuan; Tu, Ye; Hsu, Chun‐Hua; Juan, Hsueh‐Fen; Tùng, Cao Việt; Chen, C

doi:10.20944/preprints202002.0242.v2

Cited by 38 publications

(21 citation statements)

References 13 publications

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“…RDV is a broad-spectrum antiviral agent by acting as a nucleoside analog that was initially developed to treat Ebola. A molecular modeling study suggested that RDV could be a potential therapeutic agent as the active form (CHEMBL2016761) of RDV has shown perfect docking scores among other antiviral agents [79]. It also showed promising in vitro activities by blocking the viral infection of SARS-CoV-2, as demonstrated by Wang M. et al, (EC 50 = 0.77 μM; CC 50 >100 μM; SI >129.87) [84].…”

Section: Antiviral Agentsmentioning

confidence: 90%

“…For example, molecular modeling studies are using docking software to determine the binding efficiency of these compounds to SARS-CoV-2. These studies are aiming to validate the repurposing of the use of different drugs such HIV protease inhibitors, nucleoside analogs for SARS-CoV-2 and other existing drugs with antiviral activity [79].…”

Section: Repurposing Drugs For Sars-cov-2 (Drugs In Clinical Trials)mentioning

confidence: 99%

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COVID-19 Pandemic: an Overview of epidemiology, pathogenesis, Diagnostics and Potential Vaccines and Therapeutics

et al. 2020

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At the time of writing this review, severe acute respiratory coronavirus syndrome-2 (SARS-CoV-2) has infected more than 2,355,853 patients and resulted in more than 164,656 deaths worldwide (as of 20 April 2020). This review highlights the preventive measures, available clinical therapies and the potential of vaccine development against SARS-CoV-2 by taking into consideration the strong genetic similarities of the 2003 epidemic SARS-CoV. Recent studies are investigating the repurposing of US FDA-approved drugs as there is no available vaccine yet with many attempts under clinical evaluation. Several antivirals, antimalarials and immunomodulators that have shown activity against SARS-CoV and Middle East coronavirus respiratory syndromes are being evaluated. In particular, hydroxychloroquine, remdesivir, favipiravir, arbidol, tocilizumab and bevacizumab have shown promising results. The main aim of this review is to provide an overview of this pandemic and where we currently stand. Graphical abstract:

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Section: Antiviral Agentsmentioning

confidence: 90%

Section: Repurposing Drugs For Sars-cov-2 (Drugs In Clinical Trials)mentioning

confidence: 99%

COVID-19 Pandemic: an Overview of epidemiology, pathogenesis, Diagnostics and Potential Vaccines and Therapeutics

et al. 2020

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“…Despite rigid isolation policies, COVID-19 patients may still be burdened with excess case fatality, and efforts should be focused on developing more effective treatment strategies to combat COVID-19. As new drugs and vaccines are being tested and evaluated, the current scenario will evolve to account for these ongoing innovations [34][35][36][37] .…”

Section: Nature Medicinementioning

confidence: 99%

Modelling the COVID-19 epidemic and implementation of population-wide interventions in Italy

Giordano

Blanchini

Bruno

et al. 2020

Nat Med

1,686

1,969

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In Italy, 128,948 confirmed cases and 15,887 deaths of people who tested positive for SARS-CoV-2 were registered as of 5 April 2020. Ending the global SARS-CoV-2 pandemic requires implementation of multiple population-wide strategies, including social distancing, testing and contact tracing. We propose a new model that predicts the course of the epidemic to help plan an effective control strategy. The model considers eight stages of infection: susceptible (S), infected (I), diagnosed (D), ailing (A), recognized (R), threatened (T), healed (H) and extinct (E), collectively termed SIDARTHE. Our SIDARTHE model discriminates between infected individuals depending on whether they have been diagnosed and on the severity of their symptoms. The distinction between diagnosed and non-diagnosed individuals is important because the former are typically isolated and hence less likelyto spread the infection. This delineation also helps to explain misperceptions of the case fatality rate and of the epidemic spread. We compare simulation results with real data on the COVID-19 epidemic in Italy, and we model possible scenarios of implementation of countermeasures. Our results demonstrate that restrictive social-distancing measures will need to be combined with widespread testing and contact tracing to end the ongoing COVID-19 pandemic.

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“…A study by Xu et al in 2020 indicated that among the tested compounds Nelfinavir was identified as the best potential inhibitor against COVID-19 Mpro [10]. Similarly, a study by Yu-Chuan et al suggested that the nucleoside analogue Remdesivir was found effective against COVID-19 Mpro [11]. However, as these findings remain unapproved, results from these preliminary studies cannot be applied for therapeutic use and in the subsequent clinical setting for the treatment of COVID-19-infected patients [9,12].…”

Section: Introductionmentioning

confidence: 99%

Screening of FDA Approved Drugs Against COVID-19 Main Protease: Coronavirus Disease

Balakrishnan¹,

Lakshminarayanan²

2020

Preprint

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In the end of December 2019, a new strain of coronavirus was identified in the Wuhan city of Hubei province in China. Within a shorter period of time, an unprecedented outbreak of this strain was witnessed over the entire Wuhan city. This novel coronavirus strain was later officially renamed as COVID-19 (Coronavirus disease 2019) by the World Health Organization. The mode of transmission had been found to be human-to-human contact and hence resulted in a rapid surge across the globe where more than 1,100,000 people have been infected with COVID-19. In the current scenario, finding potent drug candidates for the treatment of COVID-19 has emerged as the most challenging task for clinicians and researchers worldwide. Identification of new drugs and vaccine development may take from a few months to years based on the clinical trial processes. To overcome the several limitations involved in identifying and bringing out potent drug candidates for treating COVID-19, in the present study attempts were made to screen the FDA approved drugs using High Throughput Virtual Screening (HTVS). The COVID-19 main protease (COVID-19 Mpro) was chosen as the drug target for which the FDA approved drugs were initially screened with HTVS. The drug candidates that exhibited favorable docking score, energy and emodel calculations were further taken for performing Induced Fit Docking (IFD) using Schrodinger’s GLIDE. From the flexible docking results, the following four FDA approved drugs Sincalide, Pentagastrin, Ritonavir and Phytonadione were identified. In particular, Sincalide and Pentagastrin can be considered potential key players for the treatment of COVID-19 disease.

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Potential Therapeutic Agents for COVID-19 Based on the Analysis of Protease and RNA Polymerase Docking

Cited by 38 publications

References 13 publications

COVID-19 Pandemic: an Overview of epidemiology, pathogenesis, Diagnostics and Potential Vaccines and Therapeutics

COVID-19 Pandemic: an Overview of epidemiology, pathogenesis, Diagnostics and Potential Vaccines and Therapeutics

Modelling the COVID-19 epidemic and implementation of population-wide interventions in Italy

Screening of FDA Approved Drugs Against COVID-19 Main Protease: Coronavirus Disease

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