Focused On-demand Library for Endonuclease 8-like 3

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q8TAT5

UPID:

NEIL3_HUMAN

Alternative names:

DNA glycosylase FPG2; DNA glycosylase/AP lyase Neil3; Endonuclease VIII-like 3; Nei-like protein 3

Alternative UPACC:

Q8TAT5; Q2PPJ3; Q8NG51; Q9NV95

Background:

Endonuclease 8-like 3, also known as DNA glycosylase FPG2, DNA glycosylase/AP lyase Neil3, and Nei-like protein 3, is a crucial enzyme in DNA repair mechanisms. It exhibits a preference for single-stranded DNA or partially single-stranded DNA structures, such as bubble and fork structures, over double-stranded DNA. This protein plays a pivotal role in mediating interstrand cross-link repair under replication stress by cleaving one of the two N-glycosyl bonds comprising the interstrand cross-link. This action prevents the formation of a double-strand break and generates an abasic site, which is then bypassed by translesion synthesis polymerases. Additionally, it has shown significant glycosylase activity towards various lesions in single-stranded DNA.

Therapeutic significance:

Understanding the role of Endonuclease 8-like 3 could open doors to potential therapeutic strategies.