Focused On-demand Library for (E3-independent) E2 ubiquitin-conjugating enzyme

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9C0C9

UPID:

UBE2O_HUMAN

Alternative names:

E2/E3 hybrid ubiquitin-protein ligase UBE2O; Ubiquitin carrier protein O; Ubiquitin-conjugating enzyme E2 O; Ubiquitin-conjugating enzyme E2 of 230 kDa; Ubiquitin-protein ligase O

Alternative UPACC:

Q9C0C9; A6NDU5; Q69YP4; Q6PIZ2; Q86UA4; Q8N425; Q8TBN1; Q9BSW1; Q9H6E6; Q9H7E4; Q9H9B2

Background:

The E2/E3 hybrid ubiquitin-protein ligase UBE2O, also known as Ubiquitin carrier protein O, plays a pivotal role in cellular processes through its unique E2 and E3 ligase activities. It is involved in the monoubiquitination of target proteins, regulation of NF-kappa-B activation, BMP7 signaling in adipogenesis, and the subcellular localization of chromatin-associated proteins. Additionally, UBE2O is crucial in retrograde transport by mediating 'Lys-63'-linked ubiquitination of WASHC1.

Therapeutic significance:

Understanding the role of E2/E3 hybrid ubiquitin-protein ligase UBE2O could open doors to potential therapeutic strategies.