Focused On-demand Library for Polyprenol reductase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


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 high-tech, dedicated method is applied to construct targeted 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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
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:
The protein Polyprenol reductase, known alternatively as Steroid 5-alpha-reductase 2-like, is pivotal in the early steps of protein N-linked glycosylation. It is responsible for the conversion of polyprenol into dolichol, necessary for the synthesis of dolichol-linked monosaccharides and the oligosaccharide precursor for N-glycosylation. This enzyme also exhibits the ability to convert testosterone into 5-alpha-dihydrotestosterone, showcasing its versatility in cellular processes.

THERAPEUTIC SIGNIFICANCE:
Linked to congenital disorder of glycosylation 1Q and Kahrizi syndrome, Polyprenol reductase's involvement in these diseases highlights its potential as a target for therapeutic intervention. The broad spectrum of clinical features associated with its dysfunction underscores the critical role of N-glycoproteins in development and cell function maintenance.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.