Focused On-demand Library for Proprotein convertase subtilisin/kexin type 6

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.

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.

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 high-tech, dedicated method is applied to construct targeted 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.

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

P29122

UPID:

PCSK6_HUMAN

Alternative names:

Paired basic amino acid cleaving enzyme 4; Subtilisin-like proprotein convertase 4; Subtilisin/kexin-like protease PACE4

Alternative UPACC:

P29122; Q15099; Q15100; Q9UEG7; Q9UEJ1; Q9UEJ2; Q9UEJ7; Q9UEJ8; Q9UEJ9; Q9Y4G9; Q9Y4H0; Q9Y4H1

Background:

Proprotein convertase subtilisin/kexin type 6, also known as Paired basic amino acid cleaving enzyme 4, plays a pivotal role in the processing of proproteins. It operates by cleaving at paired basic amino acids, adhering to the RXXX[KR]R consensus motif. This enzyme is integral to the constitutive secretory pathway, showcasing a unique distribution across neuroendocrine and non-neuroendocrine tissues.

Therapeutic significance:

Understanding the role of Proprotein convertase subtilisin/kexin type 6 could open doors to potential therapeutic strategies. Its unique enzymatic activity and tissue distribution suggest its involvement in critical physiological processes, making it a target of interest in drug discovery.