Focused On-demand Library for Abasic site processing protein HMCES

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's 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.