nAChR Targeted Library

Nicotinic acetylcholine receptors (nAChRs), also known as neurotype nicotinic receptors, are neurotransmitter-regulated ion channel complexes that are responsible for rapid synaptic transmission and are widely expressed in the central nervous system. These receptors play important roles in the regulation of pain signaling. In recent years, agonists targeting different subunits of nAChRs have been found to be effective in a variety of acute and chronic pain models, which can play important roles in the development of novel analgesic drugs with low addictive potential.

BOC Sciences is committed to providing a nicotinic acetylcholine receptor targeted library containing 640 compounds.

Figure 1. Neuronal nAChRs can be found at perisynaptic, presynaptic and postsynaptic areas. (Kalamida, D.; et al. 2010)

nAChR Targeted Library Design

BOC Sciences introduces cross-modeling methods that include Bayesian and pharmacological approaches to design this unique screening library containing predicted insecticides targetied nicotinic acetylcholine receptors:

1. Insecticides with known mechanisms of action on nAChR are clustered into five training sets for the subsequent modeling
2. Then, we use the training sets to develop, optimize and validate ligand-based pharmacophore models by employing different pharmacophore characteristics and exclusion volumes
3. Our teams perform screening against the best optimized pharmacophore models
4. The obtained results will be rescored using two special rescoring functions: the first one is developed based on pharmacophore feature weights and the second one is designed based on molecular descriptors (QSAR)
5. Bayesian models are constructed for the same training set based on fingerprints and different molecular descriptors
6. We collect the compounds with the highest scores selected from pharmacophore modeling, and compare them with top-scored compounds obtained from Bayesian modeling
7. Finally, only compounds selected by these two methods and visual analysis will be included in our library

nAChR Targeted Library Characteristics

• No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
• 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 nAChR Targeted Library design at competitive prices for global customers. Personalized and customized services of nAChR Targeted 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!