AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Phytanoyl-CoA dioxygenase domain-containing protein 1

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.

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

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

Reaxense

upacc

Q5SRE7

UPID:

PHYD1_HUMAN

Alternative names:

-

Alternative UPACC:

Q5SRE7; A6PWN9; A6PWP0; B3KT57; B4E3X8; Q5SRE9; Q5SRF0; Q7Z623; Q7Z7P9; Q96GM4

Background:

Phytanoyl-CoA dioxygenase domain-containing protein 1, encoded by the gene with accession number Q5SRE7, plays a crucial role in cellular metabolism. It functions as a 2-oxoglutarate(2OG)-dependent dioxygenase, catalyzing the conversion of 2-oxoglutarate to succinate and CO2 in an iron-dependent manner. Notably, this protein does not participate in the hydroxylation of acyl-coenzyme A derivatives, indicating its specificity and unique role in metabolic pathways.

Therapeutic significance:

Understanding the role of Phytanoyl-CoA dioxygenase domain-containing protein 1 could open doors to potential therapeutic strategies. Its specific metabolic functions, distinct from phytanoyl coenzyme-A metabolism and fatty acid CoA thioester activity, make it an intriguing target for drug discovery efforts aimed at metabolic disorders.

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