AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Charged multivesicular body protein 3

Available from Reaxense
Predicted by Alphafold

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q9Y3E7

UPID:

CHMP3_HUMAN

Alternative names:

Chromatin-modifying protein 3; Neuroendocrine differentiation factor; Vacuolar protein sorting-associated protein 24

Alternative UPACC:

Q9Y3E7; A8K3W0; B4DG34; B8ZZM0; B8ZZX5; Q3ZTS9; Q53S71; Q53SU5; Q9NZ51

Background:

Charged multivesicular body protein 3, also known as Chromatin-modifying protein 3, Neuroendocrine differentiation factor, and Vacuolar protein sorting-associated protein 24, plays a crucial role in the endosomal sorting required for transport complex III (ESCRT-III). This protein is pivotal in the formation of multivesicular bodies (MVBs) and the sorting of endosomal cargo proteins into MVBs, facilitating the degradation of membrane proteins, lysosomal enzymes, and lipids. It selectively binds to specific phosphoinositides, indicating a refined regulatory mechanism in cellular trafficking processes.

Therapeutic significance:

Understanding the role of Charged multivesicular body protein 3 could open doors to potential therapeutic strategies.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.
No Spam. Cancel Anytime.