Focused On-demand Library for Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
P50213

UPID:
IDH3A_HUMAN

ALTERNATIVE NAMES:
Isocitric dehydrogenase subunit alpha; NAD(+)-specific ICDH subunit alpha

ALTERNATIVE UPACC:
P50213; D3DW83; Q9H3X0

BACKGROUND:
The enzyme Isocitrate dehydrogenase [NAD] subunit alpha, located in mitochondria, is essential for the conversion of isocitrate to alpha-ketoglutarate. It operates within a heterotetramer complex, highlighting its significance in metabolic processes. The enzyme's activity is crucial for the production of NADH, a key molecule in energy metabolism.

THERAPEUTIC SIGNIFICANCE:
Linked to Retinitis pigmentosa 90, a condition characterized by night vision blindness and loss of visual field, the study of Isocitrate dehydrogenase [NAD] subunit alpha offers a promising avenue for developing treatments for this and potentially other metabolic disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 8724 of 8789