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.
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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NVE7
UPID:
PANK4_HUMAN
Alternative names:
Inactive pantothenic acid kinase 4
Alternative UPACC:
Q9NVE7; B9DI84; Q53EU3; Q5TA84; Q7RTX3; Q9H3X5
Background:
The 4'-phosphopantetheine phosphatase, also known as Inactive pantothenic acid kinase 4, plays a crucial role in the coenzyme A (CoA) pathway. It preferentially hydrolyzes 4'-phosphopantetheine and its damaged forms, thus preventing the accumulation of inactive CoA and acyl carrier protein forms. This activity is vital for maintaining CoA intracellular levels, highlighting its importance in cellular metabolism.
Therapeutic significance:
Given its role in preventing damage in the CoA pathway, understanding the function of 4'-phosphopantetheine phosphatase could open doors to potential therapeutic strategies for diseases like Cataract 49, where it is implicated. Targeting this protein's activity may offer novel approaches for managing or treating this form of congenital cataract.