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.
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.
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
Q9BWF2
UPID:
TRAIP_HUMAN
Alternative names:
RING finger protein 206; TRAF-interacting protein
Alternative UPACC:
Q9BWF2; B5BU84; B5BUL3; O00467
Background:
E3 ubiquitin-protein ligase TRAIP, also known as RING finger protein 206 and TRAF-interacting protein, plays a pivotal role in maintaining genome stability under replication stress. It regulates interstrand cross-link repair, controls replication-coupled repair pathways, and is involved in the repair of covalent DNA-protein cross-links. Additionally, TRAIP has a role in spindle assembly checkpoint regulation and acts as a negative regulator of innate immune signaling.
Therapeutic significance:
Given its involvement in Seckel syndrome 9, a disorder characterized by dwarfism, microcephaly, and intellectual disability, targeting E3 ubiquitin-protein ligase TRAIP presents a promising avenue for therapeutic intervention. Understanding the role of this protein could open doors to potential therapeutic strategies.