Focused On-demand Library for Calcineurin B homologous protein 1

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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.

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

Q99653

UPID:

CHP1_HUMAN

Alternative names:

Calcineurin B-like protein; Calcium-binding protein CHP; Calcium-binding protein p22; EF-hand calcium-binding domain-containing protein p22

Alternative UPACC:

Q99653; B2R6H9; Q6FHZ9

Background:

Calcineurin B homologous protein 1, also known as Calcium-binding protein CHP, plays a pivotal role in various cellular processes including vesicular trafficking, plasma membrane regulation, and gene transcription. It is essential for the association between microtubules and membrane-bound organelles, facilitating the fusion of transcytotic vesicles with the plasma membrane. Moreover, it serves as a crucial regulator of cell pH and ribosomal RNA transcription, highlighting its multifaceted function in cellular homeostasis.

Therapeutic significance:

Given its involvement in Spastic ataxia 9, an autosomal recessive disorder characterized by motor neuropathy and cerebellar atrophy, understanding the role of Calcineurin B homologous protein 1 could open doors to potential therapeutic strategies. Its regulatory function in cellular processes underscores its potential as a target for therapeutic intervention in related neurological disorders.