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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P78540
UPID:
ARGI2_HUMAN
Alternative names:
Arginase II; Kidney-type arginase; Non-hepatic arginase; Type II arginase
Alternative UPACC:
P78540; B2R690; Q6FHY8
Background:
Arginase-2, a mitochondrial enzyme also known as Kidney-type arginase, Non-hepatic arginase, and Type II arginase, plays a pivotal role in arginine metabolism, impacting nitric oxide synthesis and immune responses. Its activities extend to regulating L-arginine availability, influencing T cell survival, and modulating inflammation in various tissues. This protein's involvement in endothelial cell senescence, vascular smooth muscle cell apoptosis, and autophagy underscores its significance in cellular and vascular health.
Therapeutic significance:
Understanding the role of Arginase-2 could open doors to potential therapeutic strategies, particularly in conditions where arginine metabolism, immune response modulation, and vascular health are compromised. Its multifaceted functions offer a promising avenue for developing interventions aimed at enhancing immune resilience, mitigating inflammation, and promoting vascular integrity.