Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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
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 stands out due to several important features:
partner
Reaxense
upacc
Q9BZ23
UPID:
PANK2_HUMAN
Alternative names:
Pantothenic acid kinase 2
Alternative UPACC:
Q9BZ23; B1AK33; B2Z3X0; D3DVZ0; Q5T7I2; Q5T7I4; Q7RTX5; Q8N7Q4; Q8TCR5; Q9BYW5; Q9HAF2
Background:
Pantothenate kinase 2, mitochondrial, also known as Pantothenic acid kinase 2, plays a pivotal role in the biosynthesis of coenzyme A (CoA) by catalyzing the phosphorylation of pantothenate. This enzyme exists in both mitochondrial and cytoplasmic forms, essential for various cellular processes including the metabolism of fatty acids, amino acids, and the Krebs cycle.
Therapeutic significance:
The protein is implicated in Neurodegeneration with brain iron accumulation 1, a disorder marked by progressive neurodegeneration and iron accumulation in the brain. Understanding the role of Pantothenate kinase 2 could open doors to potential therapeutic strategies for this and related conditions.