Focused On-demand Library for Transmembrane protein 237

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Q96Q45

UPID:

TM237_HUMAN

Alternative names:

Amyotrophic lateral sclerosis 2 chromosomal region candidate gene 4 protein

Alternative UPACC:

Q96Q45; B4E1R8; B4E2R8; E9PAR8; E9PBF8; E9PG24; E9PGX0; Q53TS9; Q53TT2; Q7Z3B6; Q8IZ18; Q8NBF8; Q96CY1

Background:

Transmembrane protein 237, also known as Amyotrophic lateral sclerosis 2 chromosomal region candidate gene 4 protein, plays a crucial role in the formation and function of primary cilia. It is a key component of the transition zone in primary cilia, essential for ciliogenesis, the process by which cilia are formed.

Therapeutic significance:

Transmembrane protein 237 is implicated in Joubert syndrome 14, a disorder marked by severe intellectual disability and distinctive neuroradiological features. Understanding the role of Transmembrane protein 237 could open doors to potential therapeutic strategies for this and related ciliopathies.