Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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.
Our high-tech, dedicated method is applied to construct targeted 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:
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.