AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cyclic AMP-dependent transcription factor ATF-6 alpha

Available from Reaxense
Predicted by Alphafold

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.

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.

We employ our advanced, specialised process to create targeted 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

P18850

UPID:

ATF6A_HUMAN

Alternative names:

Activating transcription factor 6 alpha

Alternative UPACC:

P18850; O15139; Q5VW62; Q6IPB5; Q9UEC9

Background:

Cyclic AMP-dependent transcription factor ATF-6 alpha, also known as Activating transcription factor 6 alpha, plays a crucial role in cellular stress response. Embedded in the endoplasmic reticulum membrane, it activates genes involved in the unfolded protein response (UPR) upon stress, crucial for maintaining cellular function.

Therapeutic significance:

ATF-6 alpha's involvement in Achromatopsia 7, characterized by colorblindness and low visual acuity, highlights its potential in ocular disease therapy. Understanding its role could open doors to innovative treatments for retinal disorders.

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