AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DNA-(apurinic or apyrimidinic site) endonuclease

Available from Reaxense
Predicted by Alphafold

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused 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

P27695

UPID:

APEX1_HUMAN

Alternative names:

APEX nuclease; Apurinic-apyrimidinic endonuclease 1; REF-1; Redox factor-1

Alternative UPACC:

P27695; Q969L5; Q99775

Background:

APEX1, known as Apurinic-apyrimidinic endonuclease 1, plays a pivotal role in DNA repair and redox regulation of transcription factors. It is essential in the base excision repair pathway, addressing DNA lesions caused by oxidative stress and alkylating agents. APEX1's activities include initiating repair of apurinic/apyrimidinic sites, incising DNA/RNA hybrids, and possessing a 3'-5' exoribonuclease activity. Furthermore, it regulates gene expression through DNA demethylation and modulates transcriptional activity by controlling the redox status of transcription factors.

Therapeutic significance:

Understanding the role of APEX1 could open doors to potential therapeutic strategies.

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