Repurpose Safe Drugs with BIOVIA Living Map

New Directions in the Fight against COVID-19

Drug repurposing and systems biology can help to identify medicines known to be safe and efficacious for treating the SARS-CoV-2 virus. Fortunately, these twin approaches can also point the way to treatments for future pathogenic coronaviruses.

Repurpose Safe Drugs in a Global Pandemic

Drug repurposing involves the investigation of existing, clinically tested and safe drugs for new therapeutic purposes.

Scientists are using structure-based and virtual screening to select existing drugs based on their in silico propensity to target viral protease and possibly reduce virus proliferation. See Pharmacophore-guided Virtual Screening for Drug Repurposing and Inhibiting SARS-CoV-2 Main Protease. However, no known drug has really stood out. Therefore, we need to consider other strategies.

Systems biology focuses on the computational analysis and modeling of complex interactions within biological systems. Moreover, this approach leverages the vast amount of data and knowledge amassed worldwide from many COVID-19 initiatives.

Navigating Systems Biology with a Living Map

BIOVIA Living Map is a service on the Dassault Systèmes 3DEXPERIENCE® platform. It provides powerful modeling and simulation capabilities for systems biology. Importantly, it also automates access to academic data resources and knowledge.

Living Map allows biologists to design and simulate Boolean biological networks. In addition, the application’s  scientifically-validated Boolean signaling pathways allow scientists to construct qualitative disease maps, design in silico experiments and test new hypotheses.

Above all, scientists can annotate a Living Map model with evidence-supporting links to reference databases. They can annotate entities, interactions and reasons for modelling. Importantly, these critical, evidentiary annotations continuously raise the confidence level of BIOVIA Living Map.

Living Map

Modeling SARS-CoV-2 Effects on Innate Immunity

BIOVIA scientists are using Living Map to investigate drug repurposing in the fight against SARS-CoV-2.

In one project, we constructed a dynamic model by assembling generic coronavirus cell signaling pathways published before COVID-19. Next, we customized and validated our model with more specific and recent SARS-CoV-2 knowledge. Finally, we launched simulations to investigate candidate drugs for repurposing and to propose new therapeutic interventions. Subsequently, Living Map did not predict an approved drug to reverse the coronavirus. However, the application did identify a virus-host protein interaction with the potential to be effective.

Simulating a Non-coronavirus Infection vs. SARS-CoV-2

This video shows how we simulated and tested a classical, non-coronavirus infection. When we simulated the classical infection, we found that the innate immune response of the host successfully inhibited the replication/propagation of the  infection.

However, when we tested the SARS-CoV-2 virus, we found that the coronavirus inhibited the host’s innate immune response. Subsequently, this allowed the coronavirus to replicate and propagate successfully. Consistent with the clinical observations, the SARS-CoV-2 virus increased the production of pro-inflammatory cytokines. This resulted in a cytokine storm in which the body attacks its own cells and tissues rather than fighting the virus.

Advancing Innovative Target Discovery

Guided by BIOVIA Living Map, you can collaborate, understand and annotate mechanisms of disease, drug mode of action and resistance to treatment on the 3DEXPERIENCE® platform. You can build and use models to investigate R&D hypotheses by simulation. In addition, you can advance innovative target discovery while also sorting out the most promising therapeutic scenarios.

BIOVIA Living Map can help to reduce scientific investigation times by weeks. Moreover, it can reduce wet lab validation costs and increase the possibility of successful discovery.

Certainly, when you set out on a voyage of discovery, you need a good map to guide you.

Repurpose Safe Drugs with BIOVIA Living Map!'

Laurent Naudin

BIOVIA, Dassault Systèmes
Product Manager for the BIOVIA Living Map application, Laurent joined Dassault Systèmes in 2017 to foster the development of a portfolio of Life Science products. A molecular biologist by training, he has spent 20 years in the pharma industry developing bioinformatics pipelines to support R&D projects.'

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Philippe Castera

BIOVIA, Dassault Systèmes
A plasma physicist by training turned mathematician, Philippe joined Dassault Systèmes in 2015 to work on mathematical models for Complex Systems, using Graph Theory and Category Theory. In 2020, he switched to the Living Map team where he is in charge of developing all graph-related algorithms.'

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Maria Chanzy

BIOVIA, Dassault Systèmes
Maria Chanzy is the Development Director of BIOVIA Living Map. With 20 years of experience in computer software, she joined Dassault Systèmes in 2012. After 4 years as 3DEXPERIENCE platform portfolio manager working on platform define, compliance and operations, she brought her expertise to the BIOVIA brand in 2017, participating in defining and driving the conceptual data model and architecture design of the Living Map service on the 3DEXPERIENCE platform.'

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Marine Ciantar

BIOVIA, Dassault Systèmes
After university courses in bioinformatics, molecular modeling, simulation and machine learning, Marine focused on Materials Science and Quantum chemistry with a PhD carried out at IFPEN and Collège de France on the topic of multiscale modelling for the characterization of porous crystalline materials. In November 2015, Marine joined the BIOVIA Dassault Systèmes R&D Team as QA Lead in charge of scientific and functional quality for the Living Map application.'

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Carole Smerilli

BIOVIA, Dassault Systèmes
Carole joined the BIOVIA brand of Dassault Systèmes in 2019 as a Quality Assurance Engineer. With her interest in science and technology, she completed engineering school with a specialization in biotechnology and a major in bioinformatics. She now contributes to scientific and functional quality for Living Map and Scientific Intelligence applications.'

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