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

Details

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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 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
Q5SRE7

UPID:
PHYD1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q5SRE7; A6PWN9; A6PWP0; B3KT57; B4E3X8; Q5SRE9; Q5SRF0; Q7Z623; Q7Z7P9; Q96GM4

BACKGROUND:
The Phytanoyl-CoA dioxygenase domain-containing protein 1, with the unique identifier Q5SRE7, is integral to the metabolic processes within cells. It efficiently converts 2-oxoglutarate to succinate and CO2, utilizing iron in the process. This activity underscores its pivotal role in cellular metabolism, despite its lack of involvement in the hydroxylation of acyl-coenzyme A derivatives and fatty acid CoA thioester metabolism.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Phytanoyl-CoA dioxygenase domain-containing protein 1 offers a promising avenue for the development of novel therapeutic approaches. Its critical involvement in specific metabolic pathways, excluding phytanoyl coenzyme-A and fatty acid CoA thioester metabolism, positions it as a potential target in the treatment of metabolic diseases.

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