AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Arginase-2, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.

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