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.
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 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.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O00623
UPID:
PEX12_HUMAN
Alternative names:
Peroxin-12; Peroxisome assembly factor 3
Alternative UPACC:
O00623; B2R6M2
Background:
Peroxisome assembly protein 12, also known as Peroxin-12, plays a crucial role in peroxisome biogenesis. It is part of a retrotranslocation channel that facilitates the export of the PEX5 receptor from peroxisomes to the cytosol, ensuring PEX5 recycling. This process is vital for maintaining peroxisome function and organization.
Therapeutic significance:
Peroxisome assembly protein 12 is implicated in peroxisome biogenesis disorders, including Zellweger syndrome, neonatal adrenoleukodystrophy, and infantile Refsum disease. These conditions highlight the protein's critical role in cellular health and underscore the potential for targeted therapeutic strategies to mitigate these severe disorders.