Focused On-demand Library for Cardiolipin synthase (CMP-forming)

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


We use our state-of-the-art dedicated workflow for designing focused 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 stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q9UJA2

UPID:
CRLS1_HUMAN

ALTERNATIVE NAMES:
Protein GCD10 homolog

ALTERNATIVE UPACC:
Q9UJA2; D3DW09; E9PAT4; Q27RP0; Q69YQ5

BACKGROUND:
The enzyme Cardiolipin synthase, alternatively known as Protein GCD10 homolog, is essential for cardiolipin (CL) production, a key phospholipid in mitochondrial membranes. Its function is critical for the optimal performance and adaptability of mitochondria under various conditions.

THERAPEUTIC SIGNIFICANCE:
Given its crucial role in Combined oxidative phosphorylation deficiency 57, a disease with diverse clinical manifestations including neurodevelopmental regression and sensorineural hearing loss, targeting Cardiolipin synthase offers a promising avenue for developing novel treatments. Understanding the role of Cardiolipin synthase could open doors to potential therapeutic strategies.

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