Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q38SD2
UPID:
LRRK1_HUMAN
Alternative names:
-
Alternative UPACC:
Q38SD2; Q6NVH5; Q6NYC0; Q6ZNL9; Q6ZNM9; Q96JN5; Q9H5S3
Background:
Leucine-rich repeat serine/threonine-protein kinase 1 (LRRK1) is a pivotal enzyme in the regulation of bone mass, primarily through its role in osteoclast maturation. Its unique structure, characterized by leucine-rich repeats, enables specific interactions crucial for its function.
Therapeutic significance:
LRRK1's involvement in osteosclerotic metaphyseal dysplasia, a genetic condition affecting bone density, underscores its potential as a therapeutic target. Enhancing our understanding of LRRK1 could lead to novel treatments for this and related skeletal disorders.