Focused On-demand Library for Caspase recruitment domain-containing protein 14

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.

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.

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 high-tech, dedicated method is applied to construct targeted 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9BXL6

UPID:

CAR14_HUMAN

Alternative names:

CARD-containing MAGUK protein 2

Alternative UPACC:

Q9BXL6; B8QQJ3; Q9BVB5

Background:

Caspase recruitment domain-containing protein 14, also known as CARD-containing MAGUK protein 2, plays a pivotal role in inflammatory responses. It acts as a scaffolding protein, activating NF-kappa-B and p38/JNK MAP kinase signaling pathways through a complex with BCL10 and MALT1. This activation is crucial for inflammatory gene expression and cell survival against apoptosis.

Therapeutic significance:

The protein's involvement in Psoriasis 2 and Pityriasis rubra pilaris, diseases characterized by abnormal skin proliferation and inflammation, highlights its potential as a therapeutic target. Understanding the role of Caspase recruitment domain-containing protein 14 could open doors to novel treatments for these skin conditions.