Focused On-demand Libraries - Receptor.AI 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 Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q9BWX5

UPID:
GATA5_HUMAN

ALTERNATIVE NAMES:
GATA-binding factor 5

ALTERNATIVE UPACC:
Q9BWX5; D9ZGF7; Q17RE2; Q86VU4

BACKGROUND:
The Transcription factor GATA-5, alternatively known as GATA-binding factor 5, is crucial for cardiovascular development, particularly in the transcriptional programming of smooth muscle cell diversity. Its ability to bind to the CEF-1 site in the cardiac-specific slow/cardiac troponin C enhancer is vital for heart development, indicating its broad role in cardiovascular health.

THERAPEUTIC SIGNIFICANCE:
Linked to Congenital heart defects, multiple types, 5, GATA-5's role in heart development disorders underscores its therapeutic potential. The disease, caused by variants in the GATA-5 gene, presents a unique opportunity for targeted therapy development. Exploring Transcription factor GATA-5's function could lead to groundbreaking therapeutic approaches for congenital heart conditions.

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