Focused On-demand Library for DNA repair protein REV1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

Q9UBZ9

UPID:

REV1_HUMAN

Alternative names:

Alpha integrin-binding protein 80; Rev1-like terminal deoxycytidyl transferase

Alternative UPACC:

Q9UBZ9; O95941; Q53SI7; Q9C0J4; Q9NUP2

Background:

DNA repair protein REV1, also known as Alpha integrin-binding protein 80 and Rev1-like terminal deoxycytidyl transferase, plays a crucial role in DNA repair. It is responsible for transferring a dCMP residue from dCTP to the 3'-end of a DNA primer in a template-dependent reaction, aiding in the bypass of abasic lesions by inserting a nucleotide opposite the lesion. This process is vital for the normal induction of mutations by physical and chemical agents.

Therapeutic significance:

Understanding the role of DNA repair protein REV1 could open doors to potential therapeutic strategies. Its involvement in DNA repair mechanisms highlights its importance in maintaining genomic stability and preventing mutations, offering a promising target for drug discovery efforts aimed at enhancing DNA repair pathways.