Focused On-demand Library for Aspartate beta-hydroxylase domain-containing protein 2

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.

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 top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

Q6ICH7

UPID:

ASPH2_HUMAN

Alternative names:

Alternative UPACC:

Q6ICH7; B2RCH3; Q7L0W3; Q9NSN3

Background:

Aspartate beta-hydroxylase domain-containing protein 2, identified by the accession number Q6ICH7, plays a crucial role in cellular processes as a 2-oxoglutarate-dependent dioxygenase. This enzyme's activity is pivotal in the hydroxylation of specific substrates, a modification that can affect protein function and interactions significantly.

Therapeutic significance:

Understanding the role of Aspartate beta-hydroxylase domain-containing protein 2 could open doors to potential therapeutic strategies. Its enzymatic function suggests a broad impact on cellular metabolism and signaling pathways, making it a compelling target for drug discovery efforts aimed at modulating its activity for therapeutic benefits.