Focused On-demand Library for 2-oxoglutarate dehydrogenase-like, mitochondrial

Focused On-demand Libraries - Reaxense 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. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Reaxense

upacc

Q9ULD0

UPID:

OGDHL_HUMAN

Alternative names:

2-oxoglutarate dehydrogenase complex component E1-like; Alpha-ketoglutarate dehydrogenase-like

Alternative UPACC:

Q9ULD0; A8K2G1; B4DKG2; B4E193; Q8TAN9; Q9NVA0

Background:

The 2-oxoglutarate dehydrogenase-like, mitochondrial protein, also known as alpha-ketoglutarate dehydrogenase-like, plays a crucial role in the tricarboxylic acid cycle. It is a key component of the 2-oxoglutarate dehydrogenase complex, facilitating the conversion of 2-oxoglutarate to succinyl-CoA and CO2, while also reducing NAD(+) to NADH. This process is vital for cellular energy production and is predominantly active within the mitochondrion.

Therapeutic significance:

Linked to Yoon-Bellen neurodevelopmental syndrome, this protein's dysfunction highlights its importance in neurodevelopment and cellular health. Understanding the role of 2-oxoglutarate dehydrogenase-like, mitochondrial could open doors to potential therapeutic strategies for treating or managing this syndrome and related mitochondrial disorders.