Focused On-demand Library for Germinal-center associated nuclear protein

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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

O60318

UPID:

GANP_HUMAN

Alternative names:

80 kDa MCM3-associated protein; MCM3 acetylating protein; MCM3 acetyltransferase

Alternative UPACC:

O60318; C9JL56; Q2M3C1; Q6PJP6; Q9BSY5; Q9UMT4

Background:

The Germinal-center associated nuclear protein, also known as the 80 kDa MCM3-associated protein or MCM3 acetyltransferase, plays a pivotal role in cellular processes. It is integral to the TREX-2 complex, facilitating mRNA export to the cytoplasm and initiating DNA replication. Its acetylation of histones influences nucleosome assembly at immunoglobulin variable region genes, enhancing transcription complex recruitment and somatic hypermutations.

Therapeutic significance:

Linked to Peripheral neuropathy, autosomal recessive, with or without impaired intellectual development, understanding the Germinal-center associated nuclear protein's role could unveil new therapeutic avenues.