Focused On-demand Library for Charged multivesicular body 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.

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.

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.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

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.