Focused On-demand Library for Checkpoint protein HUS1

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O60921

UPID:

HUS1_HUMAN

Alternative names:

Alternative UPACC:

O60921; B4DFI9

Background:

Checkpoint protein HUS1 is a crucial component of the 9-1-1 cell-cycle checkpoint response complex, instrumental in DNA repair processes. This complex, once recruited to DNA lesions by the RAD17-RFC clamp loader complex, serves as a sliding clamp platform facilitating the actions of several key proteins in long-patch base excision repair (LP-BER). It enhances the activity of DNA polymerase beta (POLB), endonuclease FEN1, and DNA ligase I (LIG1), crucial for efficient DNA repair and maintaining genomic stability.

Therapeutic significance:

Understanding the role of Checkpoint protein HUS1 could open doors to potential therapeutic strategies. Its pivotal role in DNA repair mechanisms positions it as a target for developing treatments that could enhance DNA repair in diseases characterized by genomic instability.