Focused On-demand Library for Keratin, type I cytoskeletal 9

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P35527

UPID:

K1C9_HUMAN

Alternative names:

Cytokeratin-9; Keratin-9

Alternative UPACC:

P35527; O00109; Q0IJ47; Q14665

Background:

Keratin, type I cytoskeletal 9, also known as Cytokeratin-9 or Keratin-9, encoded by the gene with accession number P35527, plays a pivotal role in the structure and function of the epidermis. It is specifically involved in the assembly of keratin filaments, crucial for the integrity and mechanical resilience of the skin. This protein is predominantly expressed in the palmar and plantar epidermis, areas subjected to high mechanical stress.

Therapeutic significance:

Keratin-9 is directly implicated in Palmoplantar Keratoderma, a dermatological condition marked by the thickening of the skin on palms and soles. Understanding the role of Keratin-9 could open doors to potential therapeutic strategies for this and related skin disorders, offering hope for targeted treatments.