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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H999
UPID:
PANK3_HUMAN
Alternative names:
Pantothenic acid kinase 3
Alternative UPACC:
Q9H999; D3DQL1; Q53FJ9; Q7RTX4
Background:
Pantothenate kinase 3, also known as Pantothenic acid kinase 3, plays a pivotal role in cellular metabolism by catalyzing the phosphorylation of pantothenate to generate 4'-phosphopantothenate. This reaction marks the first and rate-determining step in the synthesis of coenzyme A (CoA), a critical coenzyme involved in various biochemical pathways including fatty acid synthesis and energy production.
Therapeutic significance:
Understanding the role of Pantothenate kinase 3 could open doors to potential therapeutic strategies. Its central function in CoA synthesis makes it a potential target for addressing metabolic disorders and enhancing cellular energy production.