Focused On-demand Library for Arginase-1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
P05089

UPID:
ARGI1_HUMAN

ALTERNATIVE NAMES:
Liver-type arginase; Type I arginase

ALTERNATIVE UPACC:
P05089; A6NEA0; Q5JWT5; Q5JWT6; Q8TE72; Q9BS50

BACKGROUND:
The enzyme Arginase-1, known alternatively as Liver-type arginase or Type I arginase, is a key element in the urea cycle, facilitating the conversion of L-arginine to urea and L-ornithine. Its activity is essential for ammonia detoxification in the liver and plays a role in metabolic pathways in the kidneys. Arginase-1 also has a significant role in modulating immune responses by regulating arginine metabolism, affecting the proliferation and function of T cells, NK cells, and ILC2s, and has implications for antimicrobial defense.

THERAPEUTIC SIGNIFICANCE:
The dysfunction of Arginase-1 is implicated in Argininemia, a disorder with severe neurological and developmental manifestations. The exploration of Arginase-1's functions and its involvement in disease mechanisms holds promise for the development of novel therapeutic approaches, potentially transforming the treatment landscape for patients suffering from Argininemia.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.