Focused On-demand Library for Voltage-dependent anion-selective channel protein 3

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 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9Y277

UPID:

VDAC3_HUMAN

Alternative names:

Outer mitochondrial membrane protein porin 3

Alternative UPACC:

Q9Y277; Q9UIS0

Background:

Voltage-dependent anion-selective channel protein 3 (VDAC3), also known as Outer mitochondrial membrane protein porin 3, plays a crucial role in forming a channel through the mitochondrial outer membrane. This channel facilitates the diffusion of small hydrophilic molecules, essential for cellular energy metabolism and ion homeostasis. VDAC3's involvement in male fertility and sperm mitochondrial sheath formation highlights its significance in reproductive biology.

Therapeutic significance:

Understanding the role of Voltage-dependent anion-selective channel protein 3 could open doors to potential therapeutic strategies. Its pivotal function in energy metabolism and reproductive biology positions it as a key target for research in metabolic disorders and infertility treatments.