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.
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.
Our high-tech, dedicated method is applied to construct targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q02818
UPID:
NUCB1_HUMAN
Alternative names:
CALNUC
Alternative UPACC:
Q02818; B2RD64; Q15838; Q7Z4J7; Q9BUR1
Background:
Nucleobindin-1, also known as CALNUC, is a pivotal calcium-binding protein localized in the Golgi apparatus. It plays a crucial role in calcium homeostasis, as suggested by similarities with other proteins. Furthermore, Nucleobindin-1 functions as a non-receptor guanine nucleotide exchange factor, activating alpha subunits of G proteins, which are essential for transmitting signals from the cell surface to the inside of the cell.
Therapeutic significance:
Understanding the role of Nucleobindin-1 could open doors to potential therapeutic strategies. Its involvement in calcium homeostasis and G protein activation positions it as a key player in cellular signaling pathways, which are often targeted in drug discovery efforts to treat various diseases.