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.
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.
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 top-notch dedicated system is used to design specialised 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
O43567
UPID:
RNF13_HUMAN
Alternative names:
RING finger protein 13
Alternative UPACC:
O43567; A6NC87; B3KR12; Q05D66; Q6IBJ9
Background:
E3 ubiquitin-protein ligase RNF13, also known as RING finger protein 13, plays a pivotal role in cell proliferation and apoptosis regulation. It is instrumental in mediating ER stress-induced activation of the JNK signaling pathway and apoptosis, alongside its involvement in protein trafficking and localization.
Therapeutic significance:
The protein's association with Developmental and Epileptic Encephalopathy 73 (DEE73), a severe early-onset epilepsy characterized by refractory seizures and neurodevelopmental impairment, underscores its therapeutic significance. Understanding the role of E3 ubiquitin-protein ligase RNF13 could open doors to potential therapeutic strategies for this debilitating condition.