Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q86YT6
UPID:
MIB1_HUMAN
Alternative names:
DAPK-interacting protein 1; Mind bomb homolog 1; RING-type E3 ubiquitin transferase MIB1; Zinc finger ZZ type with ankyrin repeat domain protein 2
Alternative UPACC:
Q86YT6; B0YJ38; Q2TB37; Q68D01; Q6YI51; Q8NBY0; Q8TCB5; Q8TCL7; Q9P2M3
Background:
E3 ubiquitin-protein ligase MIB1, known as Mind bomb homolog 1, plays a crucial role in Notch signaling by mediating the ubiquitination of Delta receptors. This process enhances Notch signaling, pivotal for cell fate determination. MIB1 also regulates apoptosis through ubiquitination and degradation of DAPK1, and inhibits primary cilium formation by targeting centriolar satellite proteins for ubiquitination.
Therapeutic significance:
MIB1's involvement in left ventricular non-compaction 7, a cardiomyopathy with variable clinical manifestations, underscores its potential as a therapeutic target. Understanding MIB1's role could open doors to novel strategies for treating heart conditions.