Focused On-demand Libraries - Receptor.AI 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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P54886

UPID:
P5CS_HUMAN

ALTERNATIVE NAMES:
Aldehyde dehydrogenase family 18 member A1

ALTERNATIVE UPACC:
P54886; B2R5Q4; B7Z350; B7Z5X8; B7ZLP1; D3DR44; O95952; Q3KQU2; Q5T566; Q5T567; Q9UM72

BACKGROUND:
The enzyme Delta-1-pyrroline-5-carboxylate synthase, alternatively known as Aldehyde dehydrogenase family 18 member A1, is essential for the synthesis of amino acids proline, ornithine, and arginine, serving as a key player in metabolic pathways. Its activity is fundamental for maintaining cellular homeostasis and responding to physiological stresses.

THERAPEUTIC SIGNIFICANCE:
Linked to diseases such as autosomal dominant and recessive forms of Cutis laxa and spastic paraplegia types 9A and 9B, Delta-1-pyrroline-5-carboxylate synthase's dysfunction highlights its potential as a target for therapeutic intervention. Exploring its mechanisms could lead to breakthroughs in treating these genetic disorders.

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