Focused On-demand Library for Galactoside-binding soluble lectin 13

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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.

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

Q9UHV8

UPID:

PP13_HUMAN

Alternative names:

Galectin-13; Placental tissue protein 13

Alternative UPACC:

Q9UHV8; C5HZ15

Background:

Galactoside-binding soluble lectin 13, also known as Galectin-13 or Placental tissue protein 13, is a protein that plays a crucial role in cellular processes. It binds to beta-galactoside and lactose, demonstrating significant involvement in T-cell apoptosis and hemagglutinating activity towards chicken erythrocytes. This protein's unique functions highlight its importance in the regulation of immune responses and cellular communication.

Therapeutic significance:

Understanding the role of Galactoside-binding soluble lectin 13 could open doors to potential therapeutic strategies. Its ability to induce T-cell apoptosis and its hemagglutinating activity suggest potential applications in immunotherapy and the treatment of diseases where immune regulation is compromised.