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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UBX1
UPID:
CATF_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UBX1; B2R964; O95240; Q9NSU4; Q9UKQ5
Background:
Cathepsin F, encoded by the gene with accession number Q9UBX1, is a thiol protease involved in the intracellular degradation and turnover of proteins. Its role extends to tumor invasion and metastasis, highlighting its significance in cellular processes and disease mechanisms.
Therapeutic significance:
Cathepsin F is linked to Ceroid lipofuscinosis, neuronal, 13 (Kufs type), a disease characterized by adult onset of progressive cognitive decline and motor dysfunction. Understanding the role of Cathepsin F could open doors to potential therapeutic strategies for this neurodegenerative disorder.