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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P20472
UPID:
PRVA_HUMAN
Alternative names:
-
Alternative UPACC:
P20472; B2R4H7; P78378; Q4VB78; Q5R3Q9
Background:
Parvalbumin alpha, a protein encoded by the gene with accession number P20472, plays a crucial role in muscle function. It is primarily involved in the relaxation phase following muscle contraction by binding to two calcium ions. This action is vital for the smooth transition between contraction and relaxation in muscle fibers.
Therapeutic significance:
Understanding the role of Parvalbumin alpha could open doors to potential therapeutic strategies. Its pivotal function in muscle relaxation highlights its importance in muscle physiology and suggests that further exploration could reveal novel approaches to treating muscle-related disorders.