Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q12798
UPID:
CETN1_HUMAN
Alternative names:
Caltractin isoform 2
Alternative UPACC:
Q12798; B2R536
Background:
Centrin-1, also known as Caltractin isoform 2, is pivotal in microtubule-organizing center structure and function, as evidenced by its fundamental role highlighted in scientific studies (PubMed:8175926). Additionally, it is instrumental in the formation of sperm cilia, suggesting its critical involvement in cellular structure and motility.
Therapeutic significance:
Understanding the role of Centrin-1 could open doors to potential therapeutic strategies. Its crucial involvement in cellular processes underscores the importance of further research to explore its therapeutic potential.