Focused On-demand Library for Contactin-associated protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P78357

UPID:

CNTP1_HUMAN

Alternative names:

Neurexin IV; Neurexin-4; p190

Alternative UPACC:

P78357

Background:

Contactin-associated protein 1, known alternatively as Neurexin IV, Neurexin-4, or p190, plays a pivotal role in the nervous system. It is essential, alongside CNTNAP2, for the radial and longitudinal organization of myelinated axons, contributing to the formation of distinct domains crucial for nerve impulse conduction in myelinated nerve fibers. This protein demarcates the paranodal region of the axo-glial junction and, in association with contactin, facilitates signaling between axons and myelinating glial cells.

Therapeutic significance:

Contactin-associated protein 1 is linked to severe neurological disorders, including Lethal congenital contracture syndrome 7 and Congenital hypomyelinating neuropathy 3. These conditions underscore the protein's critical role in neuromuscular development and function. Understanding the role of Contactin-associated protein 1 could open doors to potential therapeutic strategies for these debilitating diseases.