Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H3S4
UPID:
TPK1_HUMAN
Alternative names:
Placental protein 20; Thiamine pyrophosphokinase 1
Alternative UPACC:
Q9H3S4; A8K0T7; D3DWG0; I6L9B8; Q6NUR5; Q9H602
Background:
Thiamin pyrophosphokinase 1, also known as Placental protein 20, plays a crucial role in thiamine metabolism by catalyzing the phosphorylation of thiamine to thiamine pyrophosphate, a coenzyme essential for glucose metabolism. This protein's activity is pivotal in energy production within cells.
Therapeutic significance:
Thiamine metabolism dysfunction syndrome 5, an episodic encephalopathy type, is directly linked to mutations in the gene encoding Thiamin pyrophosphokinase 1. Understanding the role of Thiamin pyrophosphokinase 1 could open doors to potential therapeutic strategies for this metabolic disorder, offering hope for targeted treatments.