Focused On-demand Library for Deformed epidermal autoregulatory factor 1 homolog

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

O75398

UPID:

DEAF1_HUMAN

Alternative names:

Nuclear DEAF-1-related transcriptional regulator; Suppressin; Zinc finger MYND domain-containing protein 5

Alternative UPACC:

O75398; A8K1F8; A8K5R8; C7T5V5; O15152; O75399; O75510; O75511; O75512; O75513; Q9UET1

Background:

Deformed epidermal autoregulatory factor 1 homolog (DEAF-1), also known as Nuclear DEAF-1-related transcriptional regulator, Suppressin, and Zinc finger MYND domain-containing protein 5, plays a pivotal role in transcription regulation. It binds to specific DNA sequences, down-regulating transcription of certain genes, including its own. DEAF-1 is crucial for processes such as neural tube closure, skeletal patterning, and epithelial cell proliferation in the mammary gland. It also influences the expression of peripheral tissue antigens in pancreatic lymph nodes.

Therapeutic significance:

DEAF-1's involvement in Vulto-van Silfout-de Vries syndrome and Neurodevelopmental disorder with hypotonia suggests its potential as a therapeutic target. Understanding DEAF-1's role could open doors to novel treatments for these disorders, emphasizing the importance of further research into its functions and mechanisms.