AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Pyrroline-5-carboxylate reductase 1, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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:

  • 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

P32322

UPID:

P5CR1_HUMAN

Alternative names:

-

Alternative UPACC:

P32322; A6NFM2; B4DMU0; Q6FHI4; Q96DI6; Q9HBQ4

Background:

Pyrroline-5-carboxylate reductase 1, mitochondrial, encoded by the gene with accession number P32322, plays a pivotal role in proline biosynthesis. This housekeeping enzyme catalyzes the final step of the pathway, showing a preference for NAD over NADP. It is crucial in managing oxidative stress within cells, highlighting its importance in maintaining cellular health and function.

Therapeutic significance:

The enzyme's dysfunction is linked to Cutis laxa, autosomal recessive, 2B and 3B, diseases characterized by skin and connective tissue abnormalities, and neurological issues. Understanding the role of Pyrroline-5-carboxylate reductase 1 could open doors to potential therapeutic strategies for these conditions.

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