Nowadays, infectious diseases have become one of the most critical and urgent health issues in the world. More than 25 billion dollars are currently invested annually in the antimicrobial drug development market, but there is still a need to develop and implement new antibacterial drugs because many disease-causing bacteria have developed resistance against current antibiotics. There is a demand for new effective and safe treatments in the antibacterial field. There are several antibacterial agents with appreciable effectiveness against many pathogens, so scientists use them empirically. In addition, many studies of antibacterial agents have led to the systematic study and emergence of special rules in molecular parameters and structural features. Molecules with antibacterial activity are usually larger and more polar than the common drugs. The choice of therapeutic approach usually depends on various indirect factors such as pharmacokinetics, side effects, resistance profile and cost of treatment. The application of carefully collected available data for the construction of new and useful antibacterial libraries is an important strategy for the development of novel antibacterial drugs.
BOC Sciences has designed its dedicated antibacterial screening compound library for high-throughput screening (HTS) and high-content screening (HCS), to help you perform new drug screening and study new indication emergence, etc.
Compound Selection
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A 2D fingerprint similarity search is carried out against BOC Sciences HTS compound collection to yield 4,200 drug-like screening compounds that are effective against bacterial organisms and over 6,900 small-molecule analogues of molecules with known activity against the following bacterially relevant protein targets:
Figure 1. Screening Identifies a Compound That Selectively Enhances the Antibacterial Activity. (Wen, K. C.; et al. 2020)
Library Design
BOC Sciences mainly employs a knowledge-based approach to construct our new antimicrobial library. Moreover, since antibacterial drugs occupy a unique property space, which is very different compared to drugs in other therapeutic areas. Therefore, we discarded Lipinski's rule of five. The main differences between antibacterial and other drugs are MW and lipophilicity (ClogD7.4, ClogP, number of H donors and receptors, and relative PSA).
- Firstly, a rigorous refinement is performed using the correct molecular parameter profile
- Sub-structure and shape-based searches are then used to select molecules with privileged cores, motifs and natural product-like scaffolds that are essential for antibacterial activity
Structural fragments used for the selection:
- Carbapenems
- Oxazolidinones
- Cephems-like
- Penems-like
- Dihydrofolate reductase inhibitors
- Penicillins
- Quinolones
- Sulfa drugs
Antibacterial Screening Compound Library Characteristics
- Bioactivity and safety confirmed by preclinical studies and clinical trials
- The library perfectly matches the distribution of physicochemical properties of known antibiotics and can significantly enhance the probability of hit discovery in targeted- and cell-based assays
- Our experts pay special attention to the cell penetration issues of Gram-negative pathogens
- Structural diversity, medicinal activity, and cellular penetration
- Structural document, IC50, and other chemical and biological data are provided
- Tanimoto index ≥ 0.8
- All compounds are continually updated
- Compound cherry-picking service is provided
Figure 2. Schematic description of the screening workflow. (Wen, K. C.; et al. 2020)
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 Antibacterial Screening Compound Library design at competitive prices for global customers. Personalized and customized services of Antibacterial 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!
Reference
- Wen, K. C.; et al. Synergy Screening Identifies a Compound That Selectively Enhances the Antibacterial Activity of Nitric Oxide. Frontiers in Bioengineering and Biotechnology. 2020., 8: 1001.
