Focused On-demand Library for Microsomal triglyceride transfer protein large subunit

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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

P55157

UPID:

MTP_HUMAN

Alternative names:

Alternative UPACC:

P55157; A8K428; Q08AM4; Q6P5T3

Background:

The Microsomal triglyceride transfer protein large subunit plays a pivotal role in lipid metabolism. It is instrumental in the transport of triglyceride, cholesteryl ester, and phospholipid across phospholipid surfaces, facilitating the assembly and secretion of apolipoprotein B-containing lipoproteins. This protein's function is crucial for the maintenance of normal plasma lipoprotein levels, which are essential for lipid homeostasis.

Therapeutic significance:

Abetalipoproteinemia, a disorder resulting from impaired lipoprotein metabolism, is directly linked to mutations affecting the gene encoding the Microsomal triglyceride transfer protein large subunit. This condition underscores the protein's critical role in lipid transport and absorption, highlighting its potential as a target for therapeutic intervention. Understanding the protein's mechanism could lead to novel treatments for lipid metabolism disorders.