Focused On-demand Library for Proprotein convertase subtilisin/kexin type 4

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.

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

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q6UW60

UPID:

PCSK4_HUMAN

Alternative names:

Proprotein convertase 4

Alternative UPACC:

Q6UW60; Q8IY88; Q9UF79

Background:

Proprotein convertase subtilisin/kexin type 4, also known as Proprotein convertase 4, plays a pivotal role in the processing of hormone and protein precursors. It operates at sites with pairs of basic amino acid residues. In males, it is crucial for the processing of ADAM2 and other acrosomal proteins, facilitating sperm capacitation, acrosome reaction, and binding to the zona pellucida. In females, it supports fertility by regulating trophoblast migration and placental development, potentially through the activation of proteins such as IGF2, and is involved in folliculogenesis in the ovaries.

Therapeutic significance:

Understanding the role of Proprotein convertase subtilisin/kexin type 4 could open doors to potential therapeutic strategies.