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Reviews of "Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2"

This study employs a consensus virtual screening protocol to identify FDA-approved compounds inhibiting the main protease of SARS-CoV-2 (Mpro) and discover a cloverleaf binding pattern common to active compounds. These findings should be considered reliable.

Published onOct 08, 2020
Reviews of "Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2"

To read the reviews, click the links below the Editorial Statement.

The COVID-19 pandemic presents an unprecedented challenge for the pharmaceutical industry and academic scientists, alike. While in most circumstances, novel therapeutics can be developed using a wide range of strategies, the immediate need for effective, safe, and globally-scalable antivirals severely restricts the plausibility of many options. Thus, the research community has turned toward numerous techniques that shorten the bench-to-bedside pipeline, including in silico candidate screening and drug repurposing using FDA-approved chemical libraries. Previously reported studies indicate mixed success; however, our reviewers found promise in a recently unverified study published by Ghahremanpour and colleagues.  If verified, their findings offer (1) a useful strategy for in silico screening of FDA-approved candidate therapeutics, (2) a list of FDA-approved compounds that effectively inhibit Mpro activity, and (3) defining drug-protein binding characteristics useful for lead optimization.

Their study, posted on August 20th, sought to identify FDA-approved small molecules that inhibit Mpro, the main protease of SARS-CoV-2. The authors put forth a consensus molecular docking protocol that effectively identified 42 candidates from a 2000-compound library. Secondary in silico screening further identified the 17 most promising hits, 14 of which exhibited activity against Mpro through wet bench validation. Finally, molecular docking of validated hits revealed a common “cloverleaf” binding pattern that defined the drug-protein interaction.

Rapid Reviews: COVID-19 sought out expert peer reviewers to assess the validity of the authors’ claims. One reviewer felt the manuscript would be more informative if the report included a more rigorous justification for the experimental approach, yet deemed the conclusions drawn from the study Reliable. The second reviewer indicated the study was well-executed and deemed the findings Strong. Additional reviews will be published as they are received. While follow-up studies and further revision should be pursued, the conclusions presented in this pre-print are appropriately drawn, compelling, and potentially useful for those developing therapeutics to combat the COVID-19 pandemic.

Comments
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Jaun Elia:

The use of a consensus virtual screening protocol for identifying FDA-approved compounds is an effective approach, and the discovery of a cloverleaf binding pattern adds valuable insight into potential SARS-CoV-2 treatments. It's reassuring to know the findings are reliable and could pave the way for future therapeutic options.

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Floyd Yamada:

Drugs as inhibitors of the main protease typically refer to medications designed to disrupt viral replication by targeting key enzymes like the main protease (Mpro) in viruses such as SARS-CoV-2. These inhibitors work by binding to the active site of the protease, thereby preventing it from cleaving viral polyproteins into functional components necessary for viral assembly and maturation. For instance, , drugs like lopinavir/ritonavir have been explored for their potential to inhibit Mpro and halt viral replication. Such medications play a crucial role in antiviral therapy strategies by mitigating viral load and disease progression. If you're seeking medical assistance, consider exploring options like Suboxone treatment near me which provides comprehensive care for opioid dependence and addiction recovery.