Focused On-demand Library for Nectin-4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Q96NY8

UPID:

NECT4_HUMAN

Alternative names:

Ig superfamily receptor LNIR; Nectin cell adhesion molecule 4; Poliovirus receptor-related protein 4

Alternative UPACC:

Q96NY8; B4DQW3; Q96K15

Background:

Nectin-4, known as Ig superfamily receptor LNIR, Nectin cell adhesion molecule 4, or Poliovirus receptor-related protein 4, plays a crucial role in cell adhesion through trans-homophilic and -heterophilic interactions, including specific interactions with NECTIN1. It also serves as a receptor for measles virus, highlighting its significance in microbial infection.

Therapeutic significance:

Nectin-4's involvement in Ectodermal dysplasia-syndactyly syndrome 1, characterized by hair, teeth, and skin abnormalities, underscores its potential as a target for therapeutic intervention. Understanding the role of Nectin-4 could open doors to potential therapeutic strategies.