Focused On-demand Library for Homeobox protein DLX-4

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 use our state-of-the-art dedicated workflow for designing focused 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.

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

Q92988

UPID:

DLX4_HUMAN

Alternative names:

Beta protein 1; Homeobox protein DLX-7; Homeobox protein DLX-8

Alternative UPACC:

Q92988; D3DTX2; D3DTX3; O60480; Q13265; Q6PJK0; Q9HBE0

Background:

Homeobox protein DLX-4, also known as Beta protein 1, Homeobox protein DLX-7, and DLX-8, plays a crucial role in embryonic development, particularly in palatogenesis. It is implicated in the regulation of hemoglobin S production and acts as a repressor. Its involvement in developmental processes underscores its importance in cellular differentiation and tissue formation.

Therapeutic significance:

The protein's association with Non-syndromic orofacial cleft 15, a condition characterized by cleft lips with or without cleft palate, highlights its potential as a target for therapeutic intervention. Understanding the role of Homeobox protein DLX-4 could open doors to potential therapeutic strategies for managing and treating orofacial defects.