Coronavirus canSAR – a Data-Driven, AI-Enabled, Drug Discovery Resource for the Research Community

Mitsopoulos, Costas; Antolín, Albert A.; Fernandez, Eloy Villasclaras; Micco, Patrizio Di; Micca, Ioan L.; Tym, Joseph E; Hing, Ka; Campbell, James; Sanfelice, Domenico; Collins, Ian; Workman, Paul; Al‐Lazikani, Bissan

doi:10.26434/chemrxiv.12286877.v1

“…Due to its comprehensive nature, we were able to rapidly develop a coronavirus edition of canSAR (coronacansar.ac.ac.uk) to help support and inform drug discovery and experimental validation for all coronaviruses. A separate publication preprint describing corona canSAR is available ( 36 ).…”

Section: Beyond Oncologymentioning

confidence: 99%

canSAR: update to the cancer translational research and drug discovery knowledgebase

Mitsopoulos

¹

,

Micco

²

,

Fernandez

³

et al. 2020

Nucleic Acids Research

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canSAR (http://cansar.icr.ac.uk) is the largest, public, freely available, integrative translational research and drug discovery knowledgebase for oncology. canSAR integrates vast multidisciplinary data from across genomic, protein, pharmacological, drug and chemical data with structural biology, protein networks and more. It also provides unique data, curation and annotation and crucially, AI-informed target assessment for drug discovery. canSAR is widely used internationally by academia and industry. Here we describe significant developments and enhancements to the data, web interface and infrastructure of canSAR in the form of the new implementation of the system: canSARblack. We demonstrate new functionality in aiding translation hypothesis generation and experimental design, and show how canSAR can be adapted and utilised outside oncology.

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“…In addition, we want to mention CovMulNet19 18 that at present looks like the most thorough network-based tool allowing to integrate the available genotypic and phenotypic information on COVID-19, like, SARS-CoV-2 proteins, their human partners, as well as symptoms, diseases, and drugs. Finally, Coronavirus canSAR 19 is a freely available resource that offers druggable interactomes of SARS-Cov-2 proteins and human proteins, as well as reports about 3D structures, drugs, and clinical trials.…”

Section: Introductionmentioning

confidence: 99%

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

Menestrina

¹

,

Cabrelle

²

,

Recanatini

³

2021

Preprint

0

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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.

show abstract

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

Menestrina

¹

,

Cabrelle

²

,

Recanatini

³

2021

Sci Rep

View full text Add to dashboard Cite

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.

show abstract

Coronavirus canSAR – a Data-Driven, AI-Enabled, Drug Discovery Resource for the Research Community

Cited by 4 publications

References 10 publications

canSAR: update to the cancer translational research and drug discovery knowledgebase

canSAR: update to the cancer translational research and drug discovery knowledgebase

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

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

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