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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q15782
UPID:
CH3L2_HUMAN
Alternative names:
Chondrocyte protein 39; YKL-39
Alternative UPACC:
Q15782; A6NNY3; B4DPR7; Q15749; Q15783; Q5VUV7; Q96F97
Background:
Chitinase-3-like protein 2, also known as Chondrocyte protein 39 and YKL-39, is a lectin that uniquely binds chitooligosaccharides and other glycans with high affinity, distinguishing itself from other lectins by not binding to heparin. Despite its name, it lacks chitinase activity, indicating a specialized function in glycan recognition.
Therapeutic significance:
Understanding the role of Chitinase-3-like protein 2 could open doors to potential therapeutic strategies. Its unique glycan-binding properties suggest a specific role in cellular processes that could be harnessed for therapeutic interventions.