Focused On-demand Library for Stearoyl-CoA desaturase 5

Focused On-demand Libraries - Reaxense 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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

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, also known as Acyl-CoA-desaturase 4, HSCD5, Stearoyl-CoA 9-desaturase, and Stearoyl-CoA desaturase 2, plays a pivotal role in fatty acid metabolism. It introduces the first double bond into saturated fatty acyl-CoA substrates, such as palmitoyl-CoA and stearoyl-CoA, leading to the production of unsaturated fatty acids. This enzyme is crucial for the regulation of lipid composition and fluidity in cell membranes. Additionally, it is involved in neuronal cell proliferation and differentiation, influencing key signaling pathways.

Therapeutic significance:

The association of Stearoyl-CoA desaturase 5 with autosomal dominant deafness, type 79, underscores its clinical relevance. This condition, characterized by progressive sensorineural hearing loss, highlights the enzyme's potential as a therapeutic target. Understanding the role of Stearoyl-CoA desaturase 5 could open doors to potential therapeutic strategies, especially in the context of sensory deficits.