Focused On-demand Library for Keratin, type II cytoskeletal 2 epidermal

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

P35908

UPID:

K22E_HUMAN

Alternative names:

Cytokeratin-2e; Epithelial keratin-2e; Keratin-2 epidermis; Keratin-2e; Type-II keratin Kb2

Alternative UPACC:

P35908; Q4VAQ2

Background:

Keratin, type II cytoskeletal 2 epidermal, known by alternative names such as Cytokeratin-2e and Keratin-2e, plays a crucial role in skin health. It is pivotal in terminal cornification, keratinocyte activation, proliferation, and keratinization. This protein is essential for maintaining corneocytes and keratin filaments in suprabasal keratinocytes, contributing significantly to the epidermal barrier's integrity, especially on plantar skin.

Therapeutic significance:

The protein's mutation is linked to Ichthyosis bullosa of Siemens, a rare skin disorder characterized by erythema, blistering, and hyperkeratosis. Understanding the role of Keratin, type II cytoskeletal 2 epidermal, could open doors to potential therapeutic strategies for this condition, highlighting its importance in dermatological research and treatment development.