AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Checkpoint protein HUS1

Available from Reaxense
Predicted by Alphafold

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.

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 utilise our cutting-edge, exclusive workflow to develop 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.

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

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.

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