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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q13231
UPID:
CHIT1_HUMAN
Alternative names:
Chitinase-1
Alternative UPACC:
Q13231; B3KNW6; J3KN09; Q0VGG5; Q0VGG6; Q3ZAR1; Q6ISC2; Q9H3V8; Q9UDJ8
Background:
Chitotriosidase-1, alternatively known as Chitinase-1, plays a crucial role in the degradation of chitin, chitotriose, and chitobiose. This enzyme is pivotal in the body's defense mechanisms against nematodes and other pathogens. Notably, Isoform 3 of this protein is identified to lack enzymatic activity, highlighting the functional diversity within this protein family.
Therapeutic significance:
Understanding the role of Chitotriosidase-1 could open doors to potential therapeutic strategies. Its involvement in the body's defense against pathogens underscores its potential as a target for developing treatments against parasitic infections.