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.
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.
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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UQN3
UPID:
CHM2B_HUMAN
Alternative names:
CHMP2.5; Chromatin-modifying protein 2b; Vacuolar protein sorting-associated protein 2-2
Alternative UPACC:
Q9UQN3; B4DJG8; Q53HC7; Q9Y4U6
Background:
Charged multivesicular body protein 2b (CHMP2B), also known as Chromatin-modifying protein 2b and Vacuolar protein sorting-associated protein 2-2, plays a crucial role in the endosomal sorting required for transport complex III (ESCRT-III). This complex is pivotal for multivesicular bodies (MVBs) formation and the sorting of endosomal cargo proteins into MVBs, facilitating the degradation of membrane proteins, lysosomal enzymes, and lipids.
Therapeutic significance:
CHMP2B's involvement in neurodegenerative disorders such as Frontotemporal dementia and/or amyotrophic lateral sclerosis 7 highlights its potential as a therapeutic target. Understanding the role of CHMP2B could open doors to potential therapeutic strategies for these debilitating conditions.