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

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's 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.