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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We use our state-of-the-art dedicated workflow for designing focused 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
Q8NG06
UPID:
TRI58_HUMAN
Alternative names:
Protein BIA2; RING-type E3 ubiquitin transferase TRIM58; Tripartite motif-containing protein 58
Alternative UPACC:
Q8NG06; Q6B0H9
Background:
E3 ubiquitin-protein ligase TRIM58, also known as Protein BIA2 and Tripartite motif-containing protein 58, plays a pivotal role in late erythropoiesis. It functions as an E3 ubiquitin ligase, targeting the dynein motor complex for degradation by ubiquitinating its intermediate chains, DYNC1LI1 and DYNC1LI2. This process is crucial for the regulation of nuclear polarization and possibly erythroblast enucleation.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase TRIM58 could open doors to potential therapeutic strategies. Its involvement in erythropoiesis and cellular component degradation highlights its potential as a target in diseases related to red blood cell formation and function.