CNS Targets Library

With the discovery, identification, characterization, and validation of novel human drug targets for CNS disease biology, and the emergence of new mechanisms and targets for misfolded proteins, tau, GCPRs, kinase inhibitors, neuroinflammation, etc. continues to grow. In CNS drug discovery, drugs that typically target CNS and neurologically related diseases such as Parkinson's disease, Alzheimer's disease, schizophrenia, and drug dependence. The activity of drug targets as nucleic acids or proteins (e.g., enzymes, receptors) can be modulated by small molecular weight compounds.

BOC Sciences has established a reliable library of CNS targets as a valuable tool for neurological and CNS drug discovery.

Figure 1. TSC mediated signaling in the CNS. (Han, J. M.; Sahin, M. 2011)

CNS Targets Library Design

• A variety of compounds are extracted from database to prepare the training set
• At BOC Sciences, machine-learning method is developed for targets with validated QSAR data
  a. Multiple fingerprints are available
  b. Hybrid 2D QSAR model such as Kernel Chemical Classification (KCC) is supported
  c. Various multi-parameter optimization (MPO) for the CNS therapeutic area
• We perform 3D ligand-based atomic property fields virtual screening to effective reinforce selectivity, novelty and physico-chemical profiles

CNS Targets Library Characteristics

BOC Sciences’ CNS targetes library includes nearly 44,000 therapeutically relevant compounds that are carefully selected from our proprietary collection of HTS compounds to meet the parameters listed in the table below.

Table1. The summary of the BOC Sciences CNS Targets Library characteristics

Features of CNS Targets Library

• All PAIN and reactive compounds are excluded from selection by internal filter applications
• The following compounds are carefully removed from the CNS Targets Library :

Compounds with carboxyl group

Compounds with reactive groups

biologically unstable compounds

compounds difficult for optimization

compounds containing any atom different to O, N, C, H, Br, I, Cl, F, or S

• Structurally diverse subset, with the option to favor hit discovery
• Structural analogs available for SAR studies
• All compounds are continually updated
• Compound cherry-picking service is available

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 CNS Targets Library design at competitive prices for global customers. Personalized and customized services of CNS Targets 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!