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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P31946
UPID:
1433B_HUMAN
Alternative names:
Protein 1054; Protein kinase C inhibitor protein 1
Alternative UPACC:
P31946; A8K9K2; E1P616
Background:
The 14-3-3 protein beta/alpha, also known as Protein 1054 and Protein kinase C inhibitor protein 1, plays a pivotal role in regulating a broad array of signaling pathways. It functions as an adapter protein, modulating the activity of its binding partners through recognition of phosphoserine or phosphothreonine motifs. This protein is a key player in inhibiting osteogenesis and neuronal apoptosis by blocking the nuclear translocation of phosphorylated SRPK2 and its effect on cyclin D1 expression.
Therapeutic significance:
Understanding the role of 14-3-3 protein beta/alpha could open doors to potential therapeutic strategies.