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.
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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q7L8S5
UPID:
OTU6A_HUMAN
Alternative names:
DUBA-2
Alternative UPACC:
Q7L8S5; B2RPB7
Background:
OTU domain-containing protein 6A, also known as DUBA-2, is a deubiquitinating enzyme with a specific affinity for 'Lys-27'-, 'Lys-29'-, and 'Lys-33'-linked polyubiquitin chains. Its unique ability to also target 'Lys-11'-linked ubiquitin chains distinguishes it within the cellular environment, playing a crucial role in ubiquitin signaling.
Therapeutic significance:
Understanding the role of OTU domain-containing protein 6A could open doors to potential therapeutic strategies. Its precise function in ubiquitin-mediated pathways suggests its involvement in cellular processes critical for health and disease.