Focused On-demand Library for NACHT, LRR and PYD domains-containing protein 10

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

Q86W26

UPID:

NAL10_HUMAN

Alternative names:

Nucleotide-binding oligomerization domain protein 8

Alternative UPACC:

Q86W26; Q2M3C4; Q6JGT0

Background:

NACHT, LRR, and PYD domains-containing protein 10, also known as Nucleotide-binding oligomerization domain protein 8, plays a pivotal role in the immune response. It inhibits CASP1 autoprocessing, IL1B secretion, and PYCARD-mediated apoptosis, showcasing anti-inflammatory activity. This protein is crucial for immunity against C.albicans and bacterial infections, contributing to pro-inflammatory cytokine release. It also aids in T-cell-mediated inflammatory responses and protects against periodontitis by inducing IL1A in oral epithelial cells. Additionally, it possesses ATPase and GTPase activities.

Therapeutic significance:

Understanding the role of NACHT, LRR, and PYD domains-containing protein 10 could open doors to potential therapeutic strategies.