Focused On-demand Library for Abasic site processing protein HMCES

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Q96FZ2

UPID:

HMCES_HUMAN

Alternative names:

Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein; Peptidase HMCES; SRAP domain-containing protein 1

Alternative UPACC:

Q96FZ2; A6NJR9; Q96G34; Q9NRP3

Background:

The Abasic site processing protein HMCES, also known as Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, Peptidase HMCES, and SRAP domain-containing protein 1, plays a crucial role in maintaining genome integrity. It acts as a sensor for abasic sites in single-stranded DNA, promoting error-free repair by forming a covalent cross-link with DNA. This process prevents mutations and double-strand breaks by protecting abasic sites from error-prone polymerases and endonucleases.

Therapeutic significance:

Understanding the role of Abasic site processing protein HMCES could open doors to potential therapeutic strategies.