Focused On-demand Library for Stearoyl-CoA desaturase 5

Details

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Receptor.AI
 
UPACC
Q86SK9

UPID:
SCD5_HUMAN

ALTERNATIVE NAMES:
Acyl-CoA-desaturase 4; HSCD5; Stearoyl-CoA 9-desaturase; Stearoyl-CoA desaturase 2

ALTERNATIVE UPACC:
Q86SK9; B2RPG0; Q4W5Q5; Q8NDS0; Q9H7D1

BACKGROUND:
Stearoyl-CoA desaturase 5, identified by alternative names such as Acyl-CoA-desaturase 4, HSCD5, and Stearoyl-CoA 9-desaturase, is integral to the biosynthesis of unsaturated fatty acids. By catalyzing the insertion of cis double bonds into fatty acyl-CoA substrates, it facilitates the production of vital components for membrane fluidity and function. Its role extends beyond lipid metabolism to include significant effects on neuronal development and signaling, through modulation of the EGFR/AKT/MAPK and Wnt pathways.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in autosomal dominant deafness, type 79, Stearoyl-CoA desaturase 5 represents a promising target for therapeutic intervention. The enzyme's link to sensorineural hearing loss, with a noted difference in severity between genders, provides a unique angle for developing gender-specific treatments.

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