Focused On-demand Library for Calreticulin

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

P27797

UPID:

CALR_HUMAN

Alternative names:

CRP55; Calregulin; Endoplasmic reticulum resident protein 60; HACBP; grp60

Alternative UPACC:

P27797; Q6IAT4; Q9UDG2

Background:

Calreticulin, known by alternative names such as CRP55 and Calregulin, plays a pivotal role as a calcium-binding chaperone. It is essential in promoting folding, oligomeric assembly, and quality control within the endoplasmic reticulum through the calreticulin/calnexin cycle. This protein's interaction with monoglucosylated glycoproteins and its involvement in maternal gene expression and oocyte maturation highlight its significance in cellular processes.

Therapeutic significance:

Understanding the role of Calreticulin could open doors to potential therapeutic strategies. Its involvement in critical cellular functions and calcium homeostasis regulation presents it as a key target for drug discovery efforts aimed at addressing diseases with underlying cellular dysfunctions.