2D Similarity-based Antiviral Library

Viruses are tiny (microscopic) infectious agents that grow and multiply only inside the living cells of an organism. Viruses have receptors that allow them to attach to healthy (host) cells in the body. Once a virus attaches to and enters a host cell, it can replicate quickly. The host cell dies and the virus then infects other healthy cells. Antiviral drugs help the immune system fight off the harmful virus. These drugs can ease symptoms and shorten the length of a viral infection.

BOC Sciences can design a 2D similarity-based antiviral library based on known structure and activity data for some available virus-targeting compounds.

Figure 1. Schematic representation of influenza virus attachment, internalization, replication and exit from the host respiratory cell and steps inhibited by antiviral drugs. (Stiver, G. 2003)

Library Design

This library is established using 2D fingerprint similarity searches against a reference set of over 40,000 bioactive compounds that are carefully selected from multiple commercial databases. BOC Sciences applies the following therapeutically relevant viral assays representing different viral species and their proteins of interest to generate it:

• Firstly, we perform the Tanimoto 80% similarity cut-off to filter the BOC Sciences collection of HTS compounds to obtain analogs of molecules with known activity against different viral species and viral targets
• Then, a combination of the organism- and single protein- type study data is used to create two subsets containing nearly 6,000 small-molecule analogs against viral organisms and 4,200 compounds targeting viral proteins

2D Similarity-based Antiviral Library Characteristics

• No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
• Confirmed bioactivity and safety by preclinical studies and clinical trials
• Structural diversity, significant efficacy, and cellular penetration
• Structural document, IC₅₀, and other chemical and biological data are provided
• All compounds are continually updated
• Compound cherry-picking service is provided

What We Deliver

• Delivered within 2 weeks in any customer-preferred format
• Powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates
• All compounds have a minimum purity of 90% assessed by ¹H NMR and HPLC
• Analytical data is provided

BOC Sciences provides professional, rapid and high-quality services of 2D Similarity-based Antiviral Library design at competitive prices for global customers. Personalized and customized services of 2D Similarity-based Antiviral Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!