Focused On-demand Library for Protein canopy homolog 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q9BT09

UPID:

CNPY3_HUMAN

Alternative names:

CTG repeat protein 4a; Expanded repeat-domain protein CAG/CTG 5; Protein associated with TLR4; Trinucleotide repeat-containing gene 5 protein

Alternative UPACC:

Q9BT09; O15412; Q0P6I2; Q8NF54; Q8WTU8; Q9P0F2

Background:

Protein canopy homolog 3, also known as CTG repeat protein 4a, Expanded repeat-domain protein CAG/CTG 5, and Protein associated with TLR4, plays a crucial role in the immune system. It acts as a Toll-like receptor (TLR)-specific co-chaperone for HSP90B1, essential for proper TLR folding, excluding TLR3, facilitating TLR's exit from the endoplasmic reticulum. This process is vital for initiating both innate and adaptive immune responses.

Therapeutic significance:

The protein is linked to Developmental and epileptic encephalopathy 60, a severe condition characterized by early-onset epilepsies, neurodevelopmental impairment, and a poor prognosis. Understanding the role of Protein canopy homolog 3 in this disease could pave the way for innovative therapeutic strategies targeting the underlying genetic variants.