Focused On-demand Libraries - Receptor.AI 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. 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q9BPX6

UPID:
MICU1_HUMAN

ALTERNATIVE NAMES:
Atopy-related autoantigen CALC; Calcium-binding atopy-related autoantigen 1

ALTERNATIVE UPACC:
Q9BPX6; A8MV96; B3KN20; B4DJH9; B4DPI1; B5MBY3; D3YTJ3; O75785; Q9H9N6; Q9UFX0

BACKGROUND:
The protein Calcium uptake protein 1, mitochondrial, known alternatively as Atopy-related autoantigen CALC, plays a critical role in cellular calcium homeostasis. By forming a heterodimer with MICU2, it finely tunes the mitochondrial calcium uniporter's activity, essential for various physiological processes including insulin secretion and immune response.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Calcium uptake protein 1, mitochondrial could open doors to potential therapeutic strategies. Its direct link to Myopathy with extrapyramidal signs highlights its significance in mitochondrial-related disorders, offering a promising avenue for drug discovery.

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