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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BZE2
UPID:
PUS3_HUMAN
Alternative names:
tRNA pseudouridine synthase 3; tRNA pseudouridylate synthase 3; tRNA-uridine isomerase 3
Alternative UPACC:
Q9BZE2; B2RAM0; Q96D17; Q96J23; Q96NB4
Background:
The tRNA pseudouridine(38/39) synthase, also known as tRNA pseudouridine synthase 3, plays a crucial role in the modification of RNA by forming pseudouridine at position 39 in the anticodon stem and loop of transfer RNAs. This enzymatic activity is fundamental for the stability and function of tRNA molecules, impacting protein synthesis and cellular function.
Therapeutic significance:
The protein is linked to the Neurodevelopmental disorder with microcephaly and gray sclerae, a condition characterized by developmental delays, seizures, and visual impairments. Understanding the role of tRNA pseudouridine(38/39) synthase could open doors to potential therapeutic strategies for this genetic disorder.