AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Helicase ARIP4

Available from Reaxense
Predicted by Alphafold

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

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

Q9Y4B4

UPID:

ARIP4_HUMAN

Alternative names:

Androgen receptor-interacting protein 4; RAD54-like protein 2

Alternative UPACC:

Q9Y4B4; Q8TB57; Q9BV54

Background:

Helicase ARIP4, also known as Androgen receptor-interacting protein 4 and RAD54-like protein 2, plays a crucial role in DNA helicase activity, modulating androgen receptor-dependent transactivation in a promoter-specific manner. Despite its inability to remodel mononucleosomes in vitro, its involvement in DNA repair and transcription regulation underscores its biological significance.

Therapeutic significance:

Understanding the role of Helicase ARIP4 could open doors to potential therapeutic strategies. Its pivotal function in modulating androgen receptor activity suggests its potential as a target in diseases where androgen receptor signaling is implicated.

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