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.
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 utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O43933
UPID:
PEX1_HUMAN
Alternative names:
Peroxin-1; Peroxisome biogenesis disorder protein 1; Peroxisome biogenesis factor 1
Alternative UPACC:
O43933; A4D1G3; A8KA90; B4DIM7; E9PE75; Q96S71; Q96S72; Q96S73; Q99994
Background:
Peroxisomal ATPase PEX1, also known as Peroxin-1, plays a crucial role in the biogenesis of peroxisomes. It is part of the PEX1-PEX6 AAA ATPase complex, essential for recycling the PEX5 receptor by extracting it from peroxisomal membranes. This process is vital for the proper functioning of peroxisomes, cellular organelles that break down very long chain fatty acids and other harmful substances.
Therapeutic significance:
PEX1 is linked to a spectrum of peroxisome biogenesis disorders, including Zellweger syndrome, neonatal adrenoleukodystrophy, and infantile Refsum disease. These genetic conditions underscore the protein's critical role in human health. Understanding the function of Peroxisomal ATPase PEX1 could pave the way for innovative treatments for these life-threatening disorders.