Focused On-demand Library for Ceramide transfer protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 utilise our cutting-edge, exclusive workflow to develop 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.