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.


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.


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 use our state-of-the-art dedicated workflow for designing 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q96DA6

UPID:
TIM14_HUMAN

ALTERNATIVE NAMES:
DnaJ homolog subfamily C member 19

ALTERNATIVE UPACC:
Q96DA6; B2R4B1; C9JBV1

BACKGROUND:
The protein Mitochondrial import inner membrane translocase subunit TIM14, alternatively named DnaJ homolog subfamily C member 19, is pivotal in mitochondrial dynamics. It acts as a mitochondrial co-chaperone with prohibitins, regulating cardiolipin remodeling and is implicated in the ATP-dependent translocation of proteins into the mitochondrial matrix, suggesting a role in mitochondrial protein import.

THERAPEUTIC SIGNIFICANCE:
The association of TIM14 with 3-methylglutaconic aciduria 5, marked by early-onset cardiomyopathy and metabolic disturbances, underscores its clinical relevance. The exploration of TIM14's function offers promising avenues for the development of novel therapeutic interventions for mitochondrial and metabolic diseases.

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