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.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q52WX2
UPID:
SBK1_HUMAN
Alternative names:
SH3-binding kinase 1
Alternative UPACC:
Q52WX2
Background:
Serine/threonine-protein kinase SBK1, also known as SH3-binding kinase 1, plays a pivotal role in signal-transduction pathways that are crucial for brain development. Its unique function in the modulation of cellular signals underscores its importance in neurological processes.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase SBK1 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways offers a promising avenue for exploring novel treatments in neurodevelopmental disorders.