Viruses are capable of causing a diversity of diseases that are difficult to treat, and scientists commonly use multiple antiviral drugs and vaccines to combat different viral diseases. The diversity and complexity of serotypes is a challenge for the discovery of novel antiviral drugs. In addition, drug resistance caused by emerging viral mutations is one of the main reasons for treatment failure, which have contributed to the urgent demand for potent antiviral drugs, and pharmacologists expect to use this powerful tools to counteract the high variability of the viral genome.
To meet the growing demand for novel antiviral drugs, BOC Sciences has designed its dedicated antiviral compound libraries containing over 13,000 drug-like screening compounds with potential antiviral activity for the application in high-throughput screening (HTS) and high-content screening (HCS) programs.
Figure 1. High-throughput screening of drug library to inhibit human coronavirus OC43 replication in vitro. (Xiao, X.; et al. 2020)
Application of Antiviral Drugs
- Block receptors so that the virus cannot bind to and enter healthy cells
- Strengthen the immune system, helping it to fight viral infections
- Reduce the viral load (amount of active virus) in the body
Library Design
2D Similarity-based Antiviral Library
- 2D fingerprint similarity search design is employed
- Distributes of compounds from the antiviral library is developed by 2D similarity according to different virus types and their targets
- Nearly 6,000 small-molecule analogs against viral organisms and 4,200 compounds targeting viral proteins can be generated
Antiviral Library via Combined Structure-based and Ligand-based Approaches
- Crystal structures of proteins associated with the most promising and widely spread antiviral molecular targets are comprehensively collected
- Inhibitors of reference compounds and their conformations, and the desired pharmacophore features located on atomic centers of the native ligand atoms are highlighted
- he combination of ligand-based and structure-based approaches used to design this antiviral library provides cross-validation and a higher degree of accuracy
Figure 2. High-throughput screening of potential antiviral drugs for the N and S proteins of SARS-CoV-2. (Hu, X.; et al. 2021)
Antiviral Screening Compound Library Characteristics
- No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
- The combination of ligand-based and structure-based approaches used to design this antiviral library provides cross-validation and a higher degree of accuracy
- All PAIN and reactive compounds are excluded from selection by internal filter applications
- IC50, Ki ,etc less than 10 μM, inhibition >25%
- Confirmed bioactivity and safety via preclinical studies and clinical trials
- All of the compounds have been selected by ligand efficacy and predicted binding mode
- Structural diversity, significant efficacy, and cellular penetration
- Structural document, IC50, and other chemical and biological data are provided
- Tanimoto index ≥ 0.80
- 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 Antiviral Screening Compound Library design at competitive prices for global customers. Personalized and customized services of Antiviral Screening Compound 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!
References
- Xiao, X.; et al. Identification of Potent and Safe Antiviral Therapeutic Candidates Against SARS-CoV-2. Frontiers in Immunology. 2020. 11.
- Hu, X.; et al. The study of antiviral drugs targeting SARS-CoV-2 nucleocapsid and spike proteins through large-scale compound repurposing. Heliyon. 2021. 7(3): e06387.
