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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P22309
UPID:
UD11_HUMAN
Alternative names:
Bilirubin-specific UDPGT isozyme 1; UDP-glucuronosyltransferase 1-1; UDP-glucuronosyltransferase 1A isoform 1
Alternative UPACC:
P22309; A6NJC3; B8K286
Background:
UDP-glucuronosyltransferase 1A1 (UGT1A1) plays a pivotal role in the biotransformation of lipophilic substrates into more water-soluble metabolites, facilitating their excretion. This enzyme is crucial for the detoxification of drugs, xenobiotics, and endogenous compounds, including estrogen hormones and bilirubin. UGT1A1's activity towards bilirubin is particularly significant, given bilirubin's role in the catabolic pathway that breaks down heme in vertebrates.
Therapeutic significance:
Mutations in UGT1A1 are linked to several bilirubin-related disorders, including Gilbert syndrome, Transient familial neonatal hyperbilirubinemia, and Crigler-Najjar syndrome types 1 and 2. Understanding the role of UGT1A1 could open doors to potential therapeutic strategies for these conditions, highlighting its importance in medical research and drug development.