Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9UMX1
UPID:
SUFU_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UMX1; Q7LCP7; Q9NT90; Q9NZ07; Q9UHK2; Q9UHM8; Q9UMY0
Background:
Suppressor of fused homolog (SUFU) plays a pivotal role in the hedgehog/smoothened signaling pathway, crucial for cellular growth, differentiation, and embryonic development. It acts as a negative regulator, controlling the activity of GLI transcription factors and beta-catenin signaling, thereby influencing gene expression and cellular processes.
Therapeutic significance:
SUFU's involvement in diseases such as Medulloblastoma, Joubert syndrome 32, and Basal cell nevus syndrome 2 underscores its potential as a therapeutic target. Understanding SUFU's mechanisms could lead to innovative treatments for these conditions.