Focused On-demand Library for Charged multivesicular body protein 1a

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9HD42

UPID:

CHM1A_HUMAN

Alternative names:

Chromatin-modifying protein 1a; Vacuolar protein sorting-associated protein 46-1

Alternative UPACC:

Q9HD42; A2RU09; Q14468; Q15779; Q96G31

Background:

Charged multivesicular body protein 1a, also known as Chromatin-modifying protein 1a or Vacuolar protein sorting-associated protein 46-1, plays a crucial role in the endosomal sorting required for transport complex III (ESCRT-III). This complex is pivotal for multivesicular bodies (MVBs) formation, sorting of endosomal cargo proteins into MVBs, cytokinesis, and chromosome condensation. It targets the Polycomb group protein BMI1/PCGF4 to condensed chromatin regions.

Therapeutic significance:

The protein's involvement in Pontocerebellar hypoplasia 8, a severe neurodevelopmental disorder, underscores its therapeutic significance. Understanding the role of Charged multivesicular body protein 1a could open doors to potential therapeutic strategies for this and related disorders.