AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Polyprenol reductase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

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

Q9H8P0

UPID:

PORED_HUMAN

Alternative names:

3-oxo-5-alpha-steroid 4-dehydrogenase 3; Steroid 5-alpha-reductase 2-like; Steroid 5-alpha-reductase 3

Alternative UPACC:

Q9H8P0; Q4W5Q6

Background:

Polyprenol reductase, also known as 3-oxo-5-alpha-steroid 4-dehydrogenase 3, plays a crucial role in protein N-linked glycosylation. It is essential for converting polyprenol into dolichol, a key step in the synthesis of dolichol-linked monosaccharides and the oligosaccharide precursor used for N-glycosylation. Additionally, it functions as a polyprenol reductase, facilitating the reduction of polyprenols into dolichols in a NADP-dependent mechanism, and can convert testosterone into 5-alpha-dihydrotestosterone.

Therapeutic significance:

Polyprenol reductase is implicated in congenital disorder of glycosylation 1Q and Kahrizi syndrome, diseases characterized by a wide range of clinical features including defects in nervous system development and intellectual disability. Understanding the role of Polyprenol reductase could open doors to potential therapeutic strategies for these conditions.

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