Focused On-demand Library for Flap endonuclease GEN homolog 1

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 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 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.

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

Q17RS7

UPID:

GEN_HUMAN

Alternative names:

Alternative UPACC:

Q17RS7; Q17RS9; Q6ZN37

Background:

Flap endonuclease GEN homolog 1 is a pivotal enzyme in DNA repair and homologous recombination, known for its role in resolving Holliday junctions (HJs). These junctions are critical intermediates formed during DNA replication and repair, necessitating precise enzymatic action for chromosome stability. The enzyme operates through a unique nick and counter-nick mechanism, introducing cuts across the junction to facilitate the ligation of nicked duplex products. Its activity is not limited to HJs but extends to 5'-flap and replication fork DNA substrates, showcasing a versatile role in genomic maintenance.

Therapeutic significance:

Understanding the role of Flap endonuclease GEN homolog 1 could open doors to potential therapeutic strategies. Its central function in DNA repair mechanisms positions it as a key target for interventions in genetic disorders and cancer, where DNA repair pathways often go awry. Enhancing or inhibiting its activity could pave the way for novel treatments aimed at correcting defective DNA repair processes.