Focused On-demand Library for Phosphatidylcholine transfer protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Our high-tech, dedicated method is applied to construct targeted 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9UKL6

UPID:

PPCT_HUMAN

Alternative names:

START domain-containing protein 2; StAR-related lipid transfer protein 2

Alternative UPACC:

Q9UKL6; Q9BSC9; Q9UIT3; Q9UKW7

Background:

Phosphatidylcholine transfer protein, also known as START domain-containing protein 2 or StAR-related lipid transfer protein 2, plays a crucial role in cellular processes by catalyzing the transfer of phosphatidylcholine between membranes. This protein's unique ability to bind a single lipid molecule underscores its importance in lipid metabolism and cellular signaling.

Therapeutic significance:

Understanding the role of Phosphatidylcholine transfer protein could open doors to potential therapeutic strategies. Its pivotal function in lipid transfer and metabolism positions it as a key target for research aimed at unraveling novel treatments for metabolic disorders.