Focused On-demand Library for Homeobox protein cut-like 1

Focused On-demand Libraries - Reaxense 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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

P39880

UPID:

CUX1_HUMAN

Alternative names:

CCAAT displacement protein; CDP/Cux p200; Homeobox protein cux-1

Alternative UPACC:

P39880; B3KV79; J3KQV9; Q6NYH4; Q75LE5; Q75MT2; Q75MT3; Q86UJ7; Q9UEV5

Background:

Homeobox protein cut-like 1, also known as CCAAT displacement protein or CDP/Cux p200, plays a pivotal role in neuronal differentiation, dendrite development, and synaptogenesis in the brain. It acts as a transcription factor regulating the expression of genes critical for cell cycle progression, especially at the G1/S transition. Its involvement extends to repressing developmentally regulated gene expression, indicating a broad role in mammalian development.

Therapeutic significance:

The protein is linked to Global developmental delay with or without impaired intellectual development, a disorder stemming from gene variants affecting Homeobox protein cut-like 1. Understanding the role of Homeobox protein cut-like 1 could open doors to potential therapeutic strategies for this and related neurological conditions.