Focused On-demand Library for Peroxisomal ATPase PEX6

Focused On-demand Libraries - Reaxense Collaboration

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 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q13608

UPID:

PEX6_HUMAN

Alternative names:

Peroxin-6; Peroxisomal biogenesis factor 6; Peroxisomal-type ATPase 1; Peroxisome assembly factor 2

Alternative UPACC:

Q13608; Q5T8W1; Q8WYQ0; Q8WYQ1; Q8WYQ2; Q99476

Background:

Peroxisomal ATPase PEX6, known alternatively as Peroxin-6, Peroxisomal biogenesis factor 6, and Peroxisome assembly factor 2, plays a crucial role in peroxisomal function. It is a component of the PEX1-PEX6 AAA ATPase complex, facilitating the ATP-dependent extraction of the PEX5 receptor from peroxisomal membranes, a vital step for PEX5 recycling. This process is essential for the proper functioning of peroxisomes, cellular organelles involved in lipid metabolism and detoxification.

Therapeutic significance:

PEX6 is implicated in a spectrum of peroxisome biogenesis disorders, including Zellweger syndrome, neonatal adrenoleukodystrophy, and infantile Refsum disease. These conditions underscore the protein's critical role in human health. Understanding the role of Peroxisomal ATPase PEX6 could open doors to potential therapeutic strategies for these life-threatening disorders.