Immuno-oncology Screening Library

Currently, there are four main types of cancer treatment: surgery, radiotherapy, chemotherapy/targeted therapy, of which immuno-oncology is a new type of treatment that uses the body's own immune system to treat cancer. Immuno-oncology has emerged as an innovative and important approach to fight cancer. Immuno-oncology involves mobilizing lymphocytes to use the body's immune system to recognize and eliminate cancer cells. There are several immuno-oncology treatments available, including immune cell therapy (CAR-T), monoclonal antibodies (mAB) and checkpoint inhibitors, cytokines and cancer vaccines.

BOC Sciences’ latest immuno-oncology screening library covers PD1/PD-L1, RORγt, Chemokine receptor, STING, IDO, TLR and many other immune target proteins/receptors for tumor therapy.

Figure 1. Critical steps of effective antitumor immunity and the Immuno-Oncology Translational Network (IOTN) research projects tackling the steps. (Annapragada, A.; et al. 2020)

Application

• Study the pathogenesis of human diseases such as cancer
• Explore the mechanisms of tumor treatment
• Development of new cancer treatment methods

Immuno-oncology Screening Library Design

BOC Sciences’ immuno-oncology screening library is a powerful tool for research and early drug discovery in the emerging field of cancer therapy. Over 3,700 small-molecule screening compounds have been collected in this proprietary screening collection that is focused against a list of established and emerging immuno-oncology targets:

• Tryptophan-2,3-dioxygenase (TDO)
• CD73 (ecto 5'-nucleotidase)
• Arginase-1
• Indoleamine 2,3-dioxygenase 1 (IDO1)
• eIF-2-alpha kinase (GCN2)
• Nitric oxide synthase

Design Process

1. A structure-based approach is applied to search for potential inhibitors of TLR7 and TLR8 receptors
2. All reported protein structures are analyzed and superimposed to generate protein structure-based pharmacophores
3. We carefully validate different models using a reference sets of active and inactive compounds
4. Two transmembrane proteins (IRAK4 and TGF β R1) with reported kinase activity are studied based on 4U97 and 2WOT structures, respectively. In order to overlap all possible structures and conformations, alternative combinations of hydrophobic cores and h-bonds are used to select compounds. Two constrained subsets are generated to create the most detailed screening model for each kinase

At BOC Sciences, the composition of our immuno-oncology screening library is as follows:

• Immunology & Inflammation (48 compounds)
• Protein tyrosine kinase (37 compounds)
• TGF-beta/Smad (29 compounds)
• Metabolism (25 compounds)
• JAK/STAT (23 compounds)
• GPCR & G Protein (18 compounds)
• Others (8 compounds)
• Transmembrane transporters (3 compounds)
• Angiogenesis (5 compounds)
• MAPK (5 compounds)
• P13K/Akt/mTOR (5 compounds)
• Microbiology (4 compounds)
• Neuronal signaling (3 compounds)
• Apoptosis (2 compounds)
• Autophagy (2 compounds)
• Cell cycle (2 compounds)
• DNA damage/repair (2 compounds)
• NF-kB (2 compounds)
• Epigenetics (1 compounds)
• Proteases (1 compounds)
• Stem cells/Wnt (1 compounds)

Figure 1. Schematic for conceptualizing potential interactions of immunotherapies and other cancer treatment modalities, using radiotherapy as a representative example. (Annapragada, A.; et al. 2020)

Immuno-oncology Screening Library Characteristics

• We apply a docking-based virtual screening technique to evaluate the each compound from the BOC Sciences HTS compound collection against the corresponding binding site of each target
• The library contains only those drug-like screening compounds that are potential immuno-oncology targeting modulators (in accordance with Lipinski's Rule of Five)
• Our library is a powerful tool for facilitating hormone-related research, high-throughput screening, high-content screening and drug discovery projects
• No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
• Bioactivity and safety confirmed by preclinical studies and clinical trials
• Structural diversity, medicinal activity, 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 Immuno-oncology Screening Library design at competitive prices for global customers. Personalized and customized services of Immuno-oncology Screening 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!

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Immuno-oncology Screening Library

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