Current status of structure-based drug repurposing against COVID-19 by targeting SARS-CoV-2 proteins

Hijikata, Atsushi; Shionyu, Clara; Nakae, S.; Shionyu, Masafumi; Ota, Motonori; Kanaya, Shigehiko; Shirai, Tomoyuki

doi:10.2142/biophysico.bppb-v18.025

Cited by 8 publications

(6 citation statements)

References 82 publications

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“…Drug repurposing refers to the discovery of new therapeutic uses of clinically available drugs. It is a prompt strategy in searching of medications for COVID-19 therapy since the traditional drug discovery process can be costly and takes decades to complete ( Aherfi et al, 2021 ; Hijikata et al, 2021 ; Mslati et al, 2021 ; Shende et al, 2021 ). As repurposed drugs have gone through clinical trial, important parameters of these drugs, such as inhibitory potential, cell permeability, bio-availability, and safety, have been well characterized and can be available in a short time in face of pandemics ( Pushpakom et al, 2019 ).…”

Section: Strategies In Plpro Inhibitor Developmentmentioning

confidence: 99%

Potential Inhibitors Targeting Papain-Like Protease of SARS-CoV-2: Two Birds With One Stone

2022

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Severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2), the pathogen of the Coronavirus disease-19 (COVID-19), is still devastating the world causing significant chaos to the international community and posing a significant threat to global health. Since the first outbreak in late 2019, several lines of intervention have been developed to prevent the spread of this virus. Nowadays, some vaccines have been approved and extensively administered. However, the fact that SARS-CoV-2 rapidly mutates makes the efficacy and safety of this approach constantly under debate. Therefore, antivirals are still needed to combat the infection of SARS-CoV-2. Papain-like protease (PLpro) of SARS-CoV-2 supports viral reproduction and suppresses the innate immune response of the host, which makes PLpro an attractive pharmaceutical target. Inhibition of PLpro could not only prevent viral replication but also restore the antiviral immunity of the host, resulting in the speedy recovery of the patient. In this review, we describe structural and functional features on PLpro of SARS-CoV-2 and the latest development in searching for PLpro inhibitors. Currently available inhibitors targeting PLpro as well as their structural basis are also summarized.

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Section: Strategies In Plpro Inhibitor Developmentmentioning

confidence: 99%

Potential Inhibitors Targeting Papain-Like Protease of SARS-CoV-2: Two Birds With One Stone

2022

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“…SARS-CoV-2 spread worldwide rapidly, initiating the COVID-19 pandemic. Although several effective vaccines and small molecule inhibitors were rapidly developed, COVID-19 remains of great concern to global public health [1] , [2] . Due to several issues, including the emergence of new variants of SARS-CoV-2, global efforts for drug discovery to address the disease continue being of uttermost importance.…”

Section: Introductionmentioning

confidence: 99%

A proteomics-MM/PBSA dual approach for the analysis of SARS-CoV-2 main protease substrate peptide specificity

et al. 2022

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“…CEP is a natural product isolated from the plant Stephania cephalantha Hayata and has been approved for leukopenia, xerostomia and alopecia to date [ 8 ]. Natural products such as CEP are expected to be promising sources of anti‐COVID‐19 therapeutics [ 9 , 10 , 11 , 12 , 13 ]. It is well known that natural drugs exhibit antiviral activities against notable viral pathogens, including coronavirus, dengue virus, coxsackievirus, hepatitis B virus, hepatitis C virus and influenza virus [ 14 , 15 ].…”

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confidence: 99%

Evaluating cepharanthine analogues as natural drugs against SARS‐CoV‐2

et al. 2021

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Cepharanthine (CEP) is a natural biscoclaurine alkaloid of plant origin and was recently demonstrated to have anti‐severe acute respiratory syndrome coronavirus 2 (anti‐SARS‐CoV‐2) activity. In this study, we evaluated whether natural analogues of CEP may act as potential anti‐coronavirus disease 2019 drugs. A total of 24 compounds resembling CEP were extracted from the KNApSAcK database, and their binding affinities to target proteins, including the spike protein and main protease of SARS‐CoV‐2, NPC1 and TPC2 in humans, were predicted via molecular docking simulations. Selected analogues were further evaluated by a cell‐based SARS‐CoV‐2 infection assay. In addition, the efficacies of CEP and its analogue tetrandrine were assessed. A comparison of the docking conformations of these compounds suggested that the diphenyl ester moiety of the molecules was a putative pharmacophore of the CEP analogues.

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Current status of structure-based drug repurposing against COVID-19 by targeting SARS-CoV-2 proteins

Cited by 8 publications

References 82 publications

Potential Inhibitors Targeting Papain-Like Protease of SARS-CoV-2: Two Birds With One Stone

Potential Inhibitors Targeting Papain-Like Protease of SARS-CoV-2: Two Birds With One Stone

A proteomics-MM/PBSA dual approach for the analysis of SARS-CoV-2 main protease substrate peptide specificity

Evaluating cepharanthine analogues as natural drugs against SARS‐CoV‐2

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