Focused On-demand Library for Contactin-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q12860

UPID:

CNTN1_HUMAN

Alternative names:

Glycoprotein gp135; Neural cell surface protein F3

Alternative UPACC:

Q12860; A8K0H9; A8K0Y3; Q12861; Q14030; Q7M4P0; Q8N466

Background:

Contactin-1, also known as Glycoprotein gp135 or Neural cell surface protein F3, plays a pivotal role in nervous system development. It facilitates cell surface interactions, crucial for the formation of paranodal axo-glial junctions in myelinated peripheral nerves. Moreover, Contactin-1 is instrumental in signaling between axons and myelinating glial cells through its association with CNTNAP1 and acts as a ligand for NOTCH1, promoting oligodendrocyte generation.

Therapeutic significance:

Contactin-1's involvement in Congenital myopathy 12, a severe muscle disorder, underscores its therapeutic potential. Understanding the role of Contactin-1 could open doors to potential therapeutic strategies for treating congenital myopathies and enhancing nerve regeneration.