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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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 stands out due to several important features:
partner
Reaxense
upacc
Q9BYB0
UPID:
SHAN3_HUMAN
Alternative names:
Proline-rich synapse-associated protein 2
Alternative UPACC:
Q9BYB0; D7UT47; Q8TET3
Background:
SH3 and multiple ankyrin repeat domains protein 3, also known as Proline-rich synapse-associated protein 2, is pivotal in dendritic spine and synapse formation, maturation, and maintenance. It orchestrates the assembly of postsynaptic density through interactions with various proteins and complexes, influencing the structural and functional organization of synaptic junctions.
Therapeutic significance:
Linked to Phelan-McDermid syndrome and Schizophrenia 15, SH3 and multiple ankyrin repeat domains protein 3's involvement in these diseases underscores its potential as a target for therapeutic intervention. Understanding its role could open doors to novel treatment strategies.