Focused On-demand Library for Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 our associate 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 for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

P31040

UPID:

SDHA_HUMAN

Alternative names:

Flavoprotein subunit of complex II

Alternative UPACC:

P31040; A8K5J6; B4DJ60; E9PBJ5; Q16395; Q59GW8; Q8IW48; Q9UMY5

Background:

The Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial, also known as the Flavoprotein subunit of complex II, plays a pivotal role in the mitochondrial electron transport chain. It facilitates the transfer of electrons from succinate to ubiquinone, contributing to cellular energy production.

Therapeutic significance:

Linked to a spectrum of diseases, including Mitochondrial complex II deficiency, Leigh syndrome, dilated cardiomyopathy, paragangliomas, and neurodegeneration with ataxia, this protein's dysfunction underscores its potential as a therapeutic target. Understanding its role could pave the way for novel treatments.