Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 stands out due to several important features:
partner
Reaxense
upacc
P35606
UPID:
COPB2_HUMAN
Alternative names:
Beta'-coat protein; p102
Alternative UPACC:
P35606; B4DZI8
Background:
The Coatomer subunit beta', also known as Beta'-coat protein or p102, plays a pivotal role in cellular transport mechanisms. It is a key component of the coatomer complex, essential for Golgi budding and vesicular trafficking. This protein binds to dilysine motifs and associates with Golgi non-clathrin-coated vesicles, facilitating the transport of biosynthetic proteins from the ER through the Golgi apparatus. Its interaction with ADP-ribosylation factors underscores its importance in membrane recruitment and Golgi structural integrity.
Therapeutic significance:
Linked to diseases such as Microcephaly 19 and juvenile-onset Osteoporosis with developmental delay, understanding the role of Coatomer subunit beta' could open doors to potential therapeutic strategies. Its involvement in crucial cellular processes makes it a target for research aimed at uncovering novel treatments for these conditions.