Focused On-demand Library for Ceramide transfer protein

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.

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 employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Q9Y5P4

UPID:

CERT_HUMAN

Alternative names:

Collagen type IV alpha-3-binding protein; Goodpasture antigen-binding protein; START domain-containing protein 11; StAR-related lipid transfer protein 11

Alternative UPACC:

Q9Y5P4; A8K7S2; B3KUB7; Q53YV1; Q53YV2; Q96Q85; Q96Q88; Q9H2S7; Q9H2S8

Background:

Ceramide transfer protein, known as Ceramide transfer protein and by alternative names such as Collagen type IV alpha-3-binding protein and Goodpasture antigen-binding protein, plays a crucial role in cellular lipid metabolism. It shelters ceramides and diacylglycerol lipids within its START domain, facilitating their non-vesicular intracellular trafficking.

Therapeutic significance:

This protein's involvement in Intellectual developmental disorder, autosomal dominant 34, underscores its potential as a target for therapeutic intervention. Understanding the role of Ceramide transfer protein could open doors to potential therapeutic strategies.