Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q92968
UPID:
PEX13_HUMAN
Alternative names:
Peroxin-13
Alternative UPACC:
Q92968; B2RCS1
Background:
Peroxisomal membrane protein PEX13, also known as Peroxin-13, plays a crucial role in the peroxisomal biogenesis pathway. It is a component of the PEX13-PEX14 docking complex, facilitating the import of peroxisomal cargo proteins. This process is vital for maintaining cellular homeostasis and proper metabolic functions.
Therapeutic significance:
PEX13 is implicated in a spectrum of peroxisome biogenesis disorders, including Zellweger syndrome and neonatal adrenoleukodystrophy. These conditions underscore the protein's critical role in human health, making it a target for therapeutic intervention to alleviate the associated severe clinical manifestations.