Drug repurposing approach to combating coronavirus: Potential drugs and drug targets

Xu, Jimin; Xue, Yu; Zhou, Richard; Shi, Pei Yong; Li, Hongmin; Zhou, Jia

doi:10.1002/med.21763

Cited by 36 publications

(29 citation statements)

References 354 publications

(460 reference statements)

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“…Since then, thousands of compounds have been suggested as SARS-CoV-2 M-pro inhibitors through computational methods such as protein-ligand docking, high-throughput screening experiments, computer-aided design and synthesis of new compounds. Several articles have reviewed the SARS-CoV-2 M-pro inhibitors discovered to date [ 25 , 28 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 ]. In this review, we collected 1765 SARS-CoV-2 M-pro inhibitors from the bibliography and other sources such as the COVID Moonshot project [ 39 , 40 ] and the ChEMBL release 29 database [ 41 ].…”

Section: Introductionmentioning

confidence: 99%

A Review of the Current Landscape of SARS-CoV-2 Main Protease Inhibitors: Have We Hit the Bullseye Yet?

Macip

Garcia-Segura

Mestres-Truyol

et al. 2021

IJMS

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In this review, we collected 1765 severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) M-pro inhibitors from the bibliography and other sources, such as the COVID Moonshot project and the ChEMBL database. This set of inhibitors includes only those compounds whose inhibitory capacity, mainly expressed as the half-maximal inhibitory concentration (IC50) value, against M-pro from SARS-CoV-2 has been determined. Several covalent warheads are used to treat covalent and non-covalent inhibitors separately. Chemical space, the variation of the IC50 inhibitory activity when measured by different methods or laboratories, and the influence of 1,4-dithiothreitol (DTT) are discussed. When available, we have collected the values of inhibition of viral replication measured with a cellular antiviral assay and expressed as half maximal effective concentration (EC50) values, and their possible relationship to inhibitory potency against M-pro is analyzed. Finally, the most potent covalent and non-covalent inhibitors that simultaneously inhibit the SARS-CoV-2 M-pro and the virus replication in vitro are discussed.

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Section: Introductionmentioning

confidence: 99%

A Review of the Current Landscape of SARS-CoV-2 Main Protease Inhibitors: Have We Hit the Bullseye Yet?

Macip

Garcia-Segura

Mestres-Truyol

et al. 2021

IJMS

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“…Advances and Applications in Bioinformatics and Chemistry 2021:14 against SARS-CoV-2 infection, 2 in vitro data on SARS-CoV-2 were not available. Since then, low-throughput and high-throughput screening experiments have been performed (see a recent review 21 ). To the best of our knowledge, the largest high-throughput screening data open to the research/medical community are available at the NCATS COVID-19 portal (https://opendata.ncats.nih.gov/ covid19).…”

Section: Dovepressmentioning

confidence: 99%

Chemoinformatic Analysis of Psychotropic and Antihistaminic Drugs in the Light of Experimental Anti-SARS-CoV-2 Activities

Villoutreix

Krishnamoorthy²,

Tamouza³

et al. 2021

Preprint

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<div> <div> <div><b>Introduction:</b> There is an urgent need to identify therapies that prevent SARS-CoV-2 infection and improve the outcome of COVID-19 patients. <p><b>Objective:</b> We proposed, before summer 2020, that cationic amphiphilic psychotropic and antihistaminic drugs could protect psychiatric patients from SARS-CoV-2 infection based upon clinical observations. At that time, experimental in vitro data on SARS-CoV-2 were missing.</p> <p><b>Methods:</b> Open high-throughput screening results are now available at the NCATS COVID19 portal and it is possible to investigate again our initial hypothesis using simple chemoinformatics approaches but this time with in vitro data on SARS-CoV-2.</p> <p><b>Results and Discussion:</b> We here revisit our hypothesis in the light of SARS-CoV-2 experimental screening results and propose that several cationic amphiphilic psychotropic and antihistaminic drugs could possibly protect people from SARS-CoV-2 infection; some of these molecules have very limited adverse effects and could eventually be used as prophylactic drugs. Further, recent analysis of electronic health records reported by other research groups, including drug combinations, also suggest that a small list of molecules could be of interest at different stages of the disease progression. Taken together, these observations suggest that clinical trials are now needed to fully evaluate the potentials of these molecules.</p> </div> </div> </div>

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“…Known drugs that are currently in clinical or pre-clinical study for the treatment of COVID-19 are aimed either at inhibiting viral or human targets involved in some of the processes of viral entry and replication, or at treating inflammation and tissue injury consequent to the viral infection 5 , 6 . Even though it might seem that a direct antiviral approach could lead to a straightforward solution, only few of the existing antivirals have performed well in the clinic so far.…”

Section: Introductionmentioning

confidence: 99%

COVIDrugNet: a network-based web tool to investigate the drugs currently in clinical trial to contrast COVID-19

Menestrina

Cabrelle

Recanatini

2021

Sci Rep

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The COVID-19 pandemic poses a huge problem of public health that requires the implementation of all available means to contrast it, and drugs are one of them. In this context, we observed an unmet need of depicting the continuously evolving scenario of the ongoing drug clinical trials through an easy-to-use, freely accessible online tool. Starting from this consideration, we developed COVIDrugNet (http://compmedchem.unibo.it/covidrugnet), a web application that allows users to capture a holistic view and keep up to date on how the clinical drug research is responding to the SARS-CoV-2 infection. Here, we describe the web app and show through some examples how one can explore the whole landscape of medicines in clinical trial for the treatment of COVID-19 and try to probe the consistency of the current approaches with the available biological and pharmacological evidence. We conclude that careful analyses of the COVID-19 drug-target system based on COVIDrugNet can help to understand the biological implications of the proposed drug options, and eventually improve the search for more effective therapies.

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Drug repurposing approach to combating coronavirus: Potential drugs and drug targets

Cited by 36 publications

References 354 publications

A Review of the Current Landscape of SARS-CoV-2 Main Protease Inhibitors: Have We Hit the Bullseye Yet?

A Review of the Current Landscape of SARS-CoV-2 Main Protease Inhibitors: Have We Hit the Bullseye Yet?

Chemoinformatic Analysis of Psychotropic and Antihistaminic Drugs in the Light of Experimental Anti-SARS-CoV-2 Activities

COVIDrugNet: a network-based web tool to investigate the drugs currently in clinical trial to contrast COVID-19

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