Focused On-demand Library for Cyclic AMP-dependent transcription factor ATF-1

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.

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

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

P18846

UPID:

ATF1_HUMAN

Alternative names:

Activating transcription factor 1; Protein TREB36

Alternative UPACC:

P18846; B4DRF9; P25168; Q9H4A8

Background:

Cyclic AMP-dependent transcription factor ATF-1, also known as Activating transcription factor 1 and Protein TREB36, plays a pivotal role in cellular processes. It binds the cAMP response element (CRE), a sequence found in many viral and cellular promoters, and the Tax-responsive element (TRE) of HTLV-I. ATF-1 is crucial in mediating PKA-induced stimulation of CRE-reporter genes and represses the expression of FTH1 and other antioxidant detoxification genes, thereby triggering cell proliferation and transformation.

Therapeutic significance:

Angiomatoid fibrous histiocytoma, a distinct variant of malignant fibrous histiocytoma, is associated with ATF-1. Chromosomal aberrations involving ATF1, such as translocations with FUS and EWSR1, result in chimeric proteins linked to the disease. Understanding the role of ATF-1 could open doors to potential therapeutic strategies for this and related conditions.