Focused On-demand Library for ATP synthase subunit delta, mitochondrial

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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 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
P30049

UPID:
ATPD_HUMAN

ALTERNATIVE NAMES:
ATP synthase F1 subunit delta; F-ATPase delta subunit

ALTERNATIVE UPACC:
P30049; D6W5Y3; Q6FG90

BACKGROUND:
The ATP synthase subunit delta, mitochondrial, functions as part of the F(1)F(0) ATP synthase or Complex V, crucial for ATP production in cells. It facilitates the conversion of ADP to ATP, leveraging a proton gradient across the mitochondrial membrane. This action is vital for maintaining cellular energy levels and supporting various physiological processes.

THERAPEUTIC SIGNIFICANCE:
Associated with Mitochondrial complex V deficiency, nuclear type 5, characterized by episodes of metabolic decompensation, the study of ATP synthase subunit delta, mitochondrial offers a promising avenue for developing treatments for mitochondrial dysfunctions and enhancing our understanding of energy metabolism in human health and disease.

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