Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8IWX7
UPID:
UN45B_HUMAN
Alternative names:
SMUNC45
Alternative UPACC:
Q8IWX7; Q495Q8; Q495Q9
Background:
Protein unc-45 homolog B (SMUNC45), encoded by the gene with accession number Q8IWX7, plays a pivotal role in muscle cell development and lens formation. It acts as a co-chaperone for HSP90, ensuring the proper folding of the myosin motor domain, and is crucial for sarcomere formation and normal early lens development.
Therapeutic significance:
Linked to diseases such as Cataract 43 and Myopathy, myofibrillar, 11, SMUNC45's involvement in these conditions highlights its potential as a target for therapeutic intervention. Understanding the role of SMUNC45 could open doors to potential therapeutic strategies.