Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9HBV1
UPID:
POPD3_HUMAN
Alternative names:
-
Alternative UPACC:
Q9HBV1; B2RA98; Q5T3Y8; Q8TBW6
Background:
Popeye domain-containing protein 3, identified by the accession number Q9HBV1, plays a crucial role in heart function maintenance, partially through cAMP-binding. It also regulates the amplitude of KCNK2/TREK-1-mediated currents, as highlighted in recent studies.
Therapeutic significance:
This protein's malfunction is linked to Muscular dystrophy, limb-girdle, autosomal recessive 26, a disorder marked by adult-onset muscle weakness and atrophy. Understanding the role of Popeye domain-containing protein 3 could open doors to potential therapeutic strategies for this and related muscular disorders.