Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O00628
UPID:
PEX7_HUMAN
Alternative names:
Peroxin-7
Alternative UPACC:
O00628; C0H5X6
Background:
Peroxisomal targeting signal 2 receptor, also known as Peroxin-7, plays a crucial role in the peroxisomal import of proteins. It specifically binds to proteins with a PTS2 peroxisomal targeting signal, facilitating their transport into peroxisomes. This process is vital for peroxisome biogenesis and function, impacting cellular lipid metabolism and detoxification.
Therapeutic significance:
Peroxin-7 is implicated in several peroxisome biogenesis disorders, including Zellweger syndrome, neonatal adrenoleukodystrophy, and rhizomelic chondrodysplasia punctata. Understanding its function and the genetic variants affecting it could lead to targeted therapies for these debilitating diseases.