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.
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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q12988
UPID:
HSPB3_HUMAN
Alternative names:
Heat shock 17 kDa protein; Protein 3
Alternative UPACC:
Q12988
Background:
Heat shock protein beta-3, also known as Heat shock 17 kDa protein and Protein 3, plays a crucial role as an inhibitor of actin polymerization. This protein is pivotal in maintaining cellular integrity under stress conditions by modulating the cytoskeleton's dynamics.
Therapeutic significance:
Linked to Neuronopathy, distal hereditary motor, 2C, a neuromuscular disorder characterized by motor neuron degeneration, Heat shock protein beta-3's involvement suggests potential therapeutic avenues. Understanding its role could lead to novel treatments for this and related neuromuscular disorders.