AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cytochrome P450 20A1

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.

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 our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q6UW02

UPID:

CP20A_HUMAN

Alternative names:

-

Alternative UPACC:

Q6UW02; Q4ZG61; Q8N4Q8; Q8WWA9; Q9HC04

Background:

Cytochrome P450 20A1 plays a crucial role in the metabolism of various substances within the body. Its unique enzymatic pathways facilitate the breakdown and synthesis of compounds, impacting drug metabolism and hormone synthesis. The specific functions of Cytochrome P450 20A1, while not fully elucidated, are pivotal in maintaining physiological balance.

Therapeutic significance:

Understanding the role of Cytochrome P450 20A1 could open doors to potential therapeutic strategies. Its involvement in critical metabolic pathways suggests that modulating its activity could offer new avenues for treating metabolic disorders and enhancing drug efficacy.

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