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 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
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P68133
UPID:
ACTS_HUMAN
Alternative names:
Alpha-actin-1
Alternative UPACC:
P68133; P02568; P99020; Q5T8M9
Background:
Actin, alpha skeletal muscle (Alpha-actin-1), encoded by the gene with accession number P68133, plays a pivotal role in cell motility and structure. As a highly conserved protein, it is ubiquitously expressed across eukaryotic cells, underpinning its fundamental role in cellular architecture and function.
Therapeutic significance:
Alpha-actin-1 is implicated in a spectrum of congenital myopathies, ranging from mild to severe forms, characterized by muscle weakness, hypotonia, and histological abnormalities. These include Congenital myopathy 2A, 2B, 2C, and Myopathy, scapulohumeroperoneal. Understanding the role of Alpha-actin-1 could open doors to potential therapeutic strategies for these debilitating conditions.