AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein mono-ADP-ribosyltransferase PARP14

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

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.

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

Q460N5

UPID:

PAR14_HUMAN

Alternative names:

ADP-ribosyltransferase diphtheria toxin-like 8; B aggressive lymphoma protein 2; Poly [ADP-ribose] polymerase 14

Alternative UPACC:

Q460N5; B4E2H0; Q460N4; Q8J027; Q9H9X9; Q9NV60; Q9ULF2

Background:

Protein mono-ADP-ribosyltransferase PARP14, also known as ADP-ribosyltransferase diphtheria toxin-like 8, B aggressive lymphoma protein 2, and Poly [ADP-ribose] polymerase 14, plays a crucial role in cellular processes. It mediates mono-ADP-ribosylation of glutamate residues on target proteins, influencing various signaling pathways. Unlike PARP1 and PARP2, PARP14 does not mediate poly-ADP-ribosylation. It specifically modifies STAT1 and STAT6, affecting their phosphorylation and thereby regulating cytokine production and transcription in response to immune stimuli.

Therapeutic significance:

Understanding the role of Protein mono-ADP-ribosyltransferase PARP14 could open doors to potential therapeutic strategies. Its involvement in modulating immune responses and gene expression highlights its potential as a target in treating inflammatory diseases and immune-related disorders.

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