Focused On-demand Library for Dystroglycan 1

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

Q14118

UPID:

DAG1_HUMAN

Alternative names:

Dystroglycan; Dystrophin-associated glycoprotein 1

Alternative UPACC:

Q14118; A8K6M7; Q969J9

Background:

Dystroglycan 1, also known as Dystrophin-associated glycoprotein 1, plays a pivotal role in connecting the extracellular matrix to the cytoskeleton. It functions as a receptor for matrix proteins like laminin-2 and agrin, crucial for muscle and nerve tissue integrity. Its involvement in cell adhesion, migration, and polarization underscores its importance in cellular architecture and signaling.

Therapeutic significance:

Dystroglycan 1 mutations are linked to muscular dystrophy-dystroglycanopathy, a spectrum of disorders characterized by muscle degeneration and neurological defects. Understanding its role could lead to breakthroughs in treating these debilitating conditions, highlighting the protein's therapeutic potential.