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.

Schematic  representation of influenza virus attachment, internalization, replication and  exit from the host respiratory cell and steps inhibited by antiviral drugs. 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:

  • Bovine viral diarrhea virus
  • Cowpox virus
  • Coxsackievirus
  • Cytomegalovirus
  • Dengue virus
  • Echovirus
  • Enterovirus
  • Felid herpesvirus
  • Hepatitis virus
  • Human adenovirus
  • Human coxsackievirus
  • Human echovirus
  • Human enterovirus
  • Human herpesvirus
  • Human immunodeficiency virus
  • Human papillomavirus
  • Human parainfluenza virus
  • Human poliovirus
  • Human rhinovirus
  • Influenza virus
  • Japanese encephalitis virus
  • La Crosse virus
  • Lassa virus
  • Mammalian orthoreovirus
  • Measles virus
  • Modoc virus
  • Moloney murine sarcoma virus
  • Murine hepatitis virus
  • Poliovirus
  • Punta Toro virus
  • Reovirus
  • Respiratory syncytial virus
  • Rotavirus
  • San Angelo virus
  • SARS coronavirus
  • Semliki forest virus
  • Simian immunodeficiency virus
  • Sindbis virus
  • Tobacco mosaic virus
  • Transmissible gastroenteritis virus
  • Vaccinia virus
  • Venezuelan equine encephalitis virus
  • Vesicular stomatitis virus
  • West Nile virus
  • Woodchuck hepatitis virus
  • Yellow fever virus
  • 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!

Reference

  1. Stiver, G. The treatment of influenza with antiviral drugs. CMAJ: Canadian Medical Association journal = journal de l'Association medicale canadienne. 2003. 168(1): 49-56.
Our mission is to provide clients with a professional chemical library design platform. Empowered by high-quality services and effective research solutions, we are committed to helping customers achieve effective and successful research goals.

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Services Based on the Chemical Library Design Platform

Services Based on the Chemical Library Design Platform

BOC Sciences has rich experience in working with global customers in custom library synthesis of compounds and generating small to medium-sized libraries of target compounds. Our knowledge in generating a large number of target molecules in a remarkably shorter time enables quick biological screenings for affinities. With the target properties in mind, we deliver target molecules, by applying our extensive knowledge in drug discovery.

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