Focused On-demand Library for Homeobox protein Hox-A13

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P31271

UPID:
HXA13_HUMAN

ALTERNATIVE NAMES:
Homeobox protein Hox-1J

ALTERNATIVE UPACC:
P31271; A4D188; O43371

BACKGROUND:
Homeobox protein Hox-A13, alternatively named Homeobox protein Hox-1J, is a critical transcription factor in the developmental regulatory system, ensuring cells acquire specific positional identities. Its role in the anterior-posterior axis development is fundamental for proper cellular differentiation and organogenesis.

THERAPEUTIC SIGNIFICANCE:
The involvement of Homeobox protein Hox-A13 in diseases such as Hand-foot-genital syndrome and Guttmacher syndrome, characterized by limb and genitourinary anomalies, underscores its potential as a target for therapeutic intervention. Exploring the mechanisms by which Homeobox protein Hox-A13 influences these conditions could lead to novel treatments, offering hope for affected individuals.

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