is an information-analytical resource developed on the Way2Drug platform with the primary goal of supporting Russian research projects focused on the discovery of anti-coronavirus drugs for COVID-19 therapy, and enabling rapid response to emerging biogenic threats. The platform is built around the concept of drug repositioning — the identification of new therapeutic indications for already approved drugs and previously investigated pharmacological substances that did not enter clinical practice. The COVID-19 pandemic demonstrated that drug repositioning represents the only feasible rapid-response strategy when facing a novel infection, since it relies on compounds with already proven clinical safety profiles. It represents a specialized adaptation of the PASS online platform, trained on structural and activity data relevant to SARS-CoV-2 and related coronaviruses. Users can submit a chemical structure and receive quantitative probability estimates (Pa/Pi values) indicating the likelihood that the compound possesses anti-coronavirus activity, making it a practical first-line filter in virtual screening workflows.
The service performs three main types of qualitative prediction:
Biomedical information on the mechanisms of COVID-19 pathogenesis, biological processes affected by SARS-CoV-2, and pharmacological targets for therapeutic intervention;
Predictive services, including a specialized version of the PASS (Prediction of Activity Spectra for Substances) program for estimating the probability of anti-coronavirus activity in candidate compounds, and a structural analog search among ~4,000 registered drug substances;
Test systems - descriptions of biochemical and cell-based screening assays (e.g., SARS-CoV-2 3CLpro/Mpro protease inhibitor screening).
Drug repositioning section with curated preclinical and clinical data on repositioned candidates.
Library - an expert-curated collection of books, scientific publications, and web resources on COVID-19, including WHO, NIH, EMA, and PubMed/LitCovid references.
Analytical reports, including the comprehensive 2024 repository report (repo_covid_2024.html), summarizing up-to-date findings on anti-SARS-CoV-2 drug candidates.
The AntiCOVID-19 platform on Way2Drug systematizes molecular targets into several groups corresponding to key stages of SARS-CoV-2 pathogenesis.
Targets of Viral Cell Entry - the first group of targets is associated with viral penetration into the cell:
ACE2 (angiotensin-converting enzyme 2) - the primary "functional receptor" of SARS-CoV-2; inhibition of the interaction between the viral S-protein and ACE2, as well as blockade of binding receptors in endothelial cells, is proposed;
TMPRSS2 (type 2 transmembrane serine protease) - required for proteolytic activation of the S-protein during viral cell entry;
Furin - an alternative cellular protease that cleaves the S-protein;
CD147 (basigin) and neuropilin - additional mediators of viral entry beyond ACE2.
Targets of Cytokine Storm and Immune Response - the platform describes targets for suppressing hyperactivation of the immune system:
IL-6, IL-10, TNF-α - pro-inflammatory interleukins and tumor necrosis factor; the use of cytokine blockers is proposed;
JAK kinases - Janus kinase inhibitors as a component of the anti-inflammatory strategy;
GCSF, IP-10, MCP-1, MIP-1α - chemokines and chemoattractant proteins associated with the cytokine storm.
Targets of the Kallikrein–Kinin and Renin–Angiotensin Systems - the following targets are highlighted for correcting endothelial dysfunction and coagulopathy:
Kinin receptors B2R and kallikrein - blockade of these structures may produce a positive effect during the early phase of pathogenesis;
Renin–angiotensin system - inhibitors of vasoactive proteases and angiotensin receptor blockers for maintaining hemovascular balance;
RdRp (RNA-dependent RNA polymerase) - a key target for inhibiting viral genome replication.
Targets of Post-COVID Syndrome (Long COVID) - a dedicated section addresses targets relevant to post-COVID syndrome:
Components of immunothrombosis: lymphoid T- and B-cells, neutrophils, neutrophil extracellular traps;
Spike protein S1 - persisting in CD16+ monocytes as a chronic stimulator of the immune response;
Endothelial dysfunction factors: endothelin-1, angiopoietin-2;
Hemostasis factors: Hageman/von Willebrand factors, enzymes of kininogenesis and angiotensinogenesis/
Beyond the informational descriptions, the platform offers a dedicated section on "In silico assessment of SARS-CoV-2 interactions with molecular targets" - computational modeling of the interactions between analyzed compounds and the listed targets (3CLpro, PLpro, RdRp, TMPRSS2, and others), including structural analog identification.
Researchers and medicinal chemists can use the platform at multiple stages of a drug discovery pipeline. In the early hit identification phase, the anticovid prediction service allows rapid in silico screening of chemical libraries to prioritize compounds with the highest probability of anti-coronavirus activity before committing resources to wet-lab experiments. The structural analog search among ~4,000 registered drug substances enables immediate identification of repositioning candidates with known safety and pharmacokinetic profiles, dramatically shortening the path from hit to clinical candidate. The platform's test system descriptions further guide experimental validation by specifying standardized biochemical and cell-based assay protocols, such as SARS-CoV-2 3CLpro/Mpro protease inhibitor screening.
Accelerated virtual screening — By simply submitting a chemical structure, you can instantly obtain PASS predicted Pa and Pi values for anti coronavirus activity, allowing fast, ligans driven estimation of the compound’s anticoronavirus potential.
Ready-made repositioning intelligence — Access an expert-curated database of approved and investigational drugs with documented anti-SARS-CoV-2 potential, saving extensive manual literature mining effort.
Target-focused compound profiling — Map your compound of interest against a comprehensive set of validated molecular targets (ACE2, TMPRSS2, RdRp, 3CLpro, and others) using integrated in silico docking and analog search tools.
A group of authors. (2024)
Repurposing drugs for the treatment of Coronavirus (Covid-19). Analytical reports for government agencies.
If you need to evaluate a large dataset, or if you need to maintain confidentiality of structural formulas transmitted via unsecured data channels, you can contact us to discuss the licensing opportunities.
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