Focused On-demand Library for Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, 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 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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P21912

UPID:

SDHB_HUMAN

Alternative names:

Iron-sulfur subunit of complex II

Alternative UPACC:

P21912; B2R545; Q0QEY7; Q9NQ12

Background:

The Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial, also known as the Iron-sulfur subunit of complex II, plays a pivotal role in cellular energy production. This protein is an integral component of the succinate dehydrogenase complex (mitochondrial respiratory chain complex II), facilitating the transfer of electrons from succinate to ubiquinone (coenzyme Q).

Therapeutic significance:

Mutations in this protein are linked to several diseases, including Pheochromocytoma, Paragangliomas 4, Paraganglioma and gastric stromal sarcoma, and Mitochondrial complex II deficiency, nuclear type 4. These associations underscore the protein's potential as a target for therapeutic intervention in these conditions.