AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for NACHT, LRR and PYD domains-containing protein 5

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

P59047

UPID:

NALP5_HUMAN

Alternative names:

Mater protein homolog; Maternal Antigen that Embryos Require

Alternative UPACC:

P59047; A8MTY4; Q86W29

Background:

The NACHT, LRR, and PYD domains-containing protein 5, known as Mater protein homolog or Maternal Antigen that Embryos Require, is pivotal in early embryonic development. It regulates actin dynamics, essential for zygote division, and is involved in the formation of F-actin cytoplasmic lattices in oocytes. This protein ensures symmetric division by regulating mitotic spindle formation and positioning. It also plays a role in the localization of cortical granules and actin clearance in oocytes, and in post-fertilization Ca(2+) release and endoplasmic reticulum storage.

Therapeutic significance:

Understanding the role of NACHT, LRR, and PYD domains-containing protein 5 could open doors to potential therapeutic strategies.

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