Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Several key aspects differentiate our library:
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.