Focused On-demand Library for ATP-dependent Clp protease proteolytic subunit, mitochondrial

Details

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


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
Receptor.AI
 
UPACC
Q16740

UPID:
CLPP_HUMAN

ALTERNATIVE NAMES:
Endopeptidase Clp

ALTERNATIVE UPACC:
Q16740; B2R4W5

BACKGROUND:
ATP-dependent Clp protease proteolytic subunit, mitochondrial, functions as a protease component of the Clp complex, engaging in the ATP-dependent process of protein and peptide cleavage. Its activity is essential for maintaining cellular protein homeostasis, including the degradation of misfolded proteins in the mitochondria. The protein's involvement in cleaving PINK1 in the mitochondrion underscores its significance in mitochondrial function and integrity.

THERAPEUTIC SIGNIFICANCE:
Given its association with Perrault syndrome 3, a sex-influenced disorder characterized by sensorineural deafness and ovarian dysgenesis, the ATP-dependent Clp protease proteolytic subunit is a target of interest in drug discovery. Exploring its function and the pathways it influences could lead to innovative treatments for mitochondrial diseases and beyond.

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