Focused On-demand Library for Caprin-2

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q6IMN6

UPID:

CAPR2_HUMAN

Alternative names:

C1q domain-containing protein 1; Cytoplasmic activation/proliferation-associated protein 2; Gastric cancer multidrug resistance-associated protein; Protein EEG-1; RNA granule protein 140

Alternative UPACC:

Q6IMN6; E4NKG2; Q149P6; Q149P7; Q6IMN5; Q7Z371; Q8TE70; Q8TE71; Q96RN6; Q9H667; Q9HAL4

Background:

Caprin-2, also known as C1q domain-containing protein 1 and several other names, plays a crucial role in cellular processes. It promotes phosphorylation of LRP6, enhancing the canonical Wnt signaling pathway, vital for cell proliferation and differentiation. Additionally, it's involved in mRNA transport and translation, affecting protein expression in synaptic plasticity, and plays a role in erythroblast differentiation and potentially in apoptosis.

Therapeutic significance:

Understanding the role of Caprin-2 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways and cellular processes suggests its potential as a target in diseases where these pathways are dysregulated.