Focused On-demand Library for DNA damage-inducible transcript 3 protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P35638

UPID:

DDIT3_HUMAN

Alternative names:

C/EBP zeta; C/EBP-homologous protein; C/EBP-homologous protein 10; CCAAT/enhancer-binding protein homologous protein; Growth arrest and DNA damage-inducible protein GADD153

Alternative UPACC:

P35638; F8VS99

Background:

DNA damage-inducible transcript 3 protein, also known as DDIT3, plays a pivotal role in the endoplasmic reticulum stress response. It functions as a multifunctional transcription factor, essential in cell cycle arrest and apoptosis under stress conditions. DDIT3 negatively regulates CCAAT/enhancer-binding protein (C/EBP) function while activating genes crucial for the inflammatory response and cellular stress mechanisms.

Therapeutic significance:

DDIT3's involvement in myxoid liposarcoma, through chromosomal aberration, highlights its potential as a therapeutic target. Understanding the role of DDIT3 could open doors to potential therapeutic strategies for treating soft tissue tumors and managing ER stress-related diseases.