Focused On-demand Library for Multivesicular body subunit 12B

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 use our state-of-the-art dedicated workflow for designing 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

Q9H7P6

UPID:

MB12B_HUMAN

Alternative names:

ESCRT-I complex subunit MVB12B; Protein FAM125B

Alternative UPACC:

Q9H7P6; Q8N6S7

Background:

Multivesicular body subunit 12B, also known as ESCRT-I complex subunit MVB12B or Protein FAM125B, plays a crucial role in the ESCRT-I complex. This complex is pivotal for the vesicular trafficking process, specifically required for sorting endocytic ubiquitinated cargos into multivesicular bodies. The precise mechanisms and interactions of MVB12B within cellular processes highlight its significance in maintaining cellular homeostasis.

Therapeutic significance:

Understanding the role of Multivesicular body subunit 12B could open doors to potential therapeutic strategies. Its involvement in the regulation of vesicular trafficking and endocytic cargo sorting positions it as a key player in cellular function and health. Exploring its functions further could unveil novel approaches to targeting diseases related to vesicular transport dysfunctions.