Focused On-demand Library for Keratin, type II cytoskeletal 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

P04264

UPID:

K2C1_HUMAN

Alternative names:

67 kDa cytokeratin; Cytokeratin-1; Hair alpha protein; Keratin-1; Type-II keratin Kb1

Alternative UPACC:

P04264; B2RA01; P85925; P86104; Q14720; Q6GSJ0; Q9H298

Background:

Keratin, type II cytoskeletal 1, also known as Keratin-1, plays a pivotal role in the structural integrity of epithelial cells. It is part of a complex network of proteins that form the cytoskeleton, providing resilience and strength to the skin and hair. Alternative names include 67 kDa cytokeratin and Hair alpha protein, highlighting its significance in various biological structures.

Therapeutic significance:

Keratin-1 is implicated in several dermatological disorders, such as Epidermolytic hyperkeratosis and Ichthyosis hystrix, Curth-Macklin type. These conditions underscore the protein's critical role in skin health. Understanding the role of Keratin, type II cytoskeletal 1 could open doors to potential therapeutic strategies, offering hope for individuals suffering from these debilitating skin diseases.