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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create 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
P29401
UPID:
TKT_HUMAN
Alternative names:
-
Alternative UPACC:
P29401; A8K089; B4DE31; E7EPA7; Q8TBA3; Q96HH3
Background:
Transketolase, encoded by the P29401 gene, plays a pivotal role in cellular metabolism by catalyzing the transfer of a two-carbon ketol group between sugars. This enzyme's activity is crucial for the pentose phosphate pathway, a metabolic route essential for nucleic acid synthesis and antioxidative defense.
Therapeutic significance:
The enzyme's link to the syndrome characterized by short stature, developmental delay, and congenital heart defects underscores its clinical importance. Understanding the role of Transketolase could open doors to potential therapeutic strategies for managing and treating this complex condition.