Focused On-demand Library for SUMO-activating enzyme subunit 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q9UBT2

UPID:

SAE2_HUMAN

Alternative names:

Anthracycline-associated resistance ARX; Ubiquitin-like 1-activating enzyme E1B; Ubiquitin-like modifier-activating enzyme 2

Alternative UPACC:

Q9UBT2; B3KWB9; O95605; Q59H87; Q6IBP6; Q9NTJ1; Q9UED2

Background:

SUMO-activating enzyme subunit 2, also known as Ubiquitin-like modifier-activating enzyme 2, plays a pivotal role in the post-translational modification of proteins through the SUMOylation process. This enzyme, identified by the accession number Q9UBT2, forms a heterodimer that acts as an E1 ligase for SUMO proteins, facilitating their ATP-dependent activation and subsequent conjugation to target proteins.

Therapeutic significance:

The enzyme's involvement in ACCES syndrome, a disorder characterized by a spectrum of physical and neurodevelopmental abnormalities, underscores its clinical importance. Understanding the role of SUMO-activating enzyme subunit 2 could open doors to potential therapeutic strategies for managing and treating ACCES syndrome and related conditions.