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.
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.
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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P41208
UPID:
CETN2_HUMAN
Alternative names:
Caltractin isoform 1
Alternative UPACC:
P41208; B2R4T4; Q53XW1
Background:
Centrin-2, also known as Caltractin isoform 1, is pivotal in microtubule organizing center structure and function, essential for centriole duplication and spindle formation. It plays a crucial role in cytokinesis and genome stability, partnering with CALM1 and CCP110. Additionally, Centrin-2 is a key player in global genome nucleotide excision repair (GG-NER) as part of the XPC complex, enhancing DNA binding and stability. It is involved in the early detection of DNA damage, facilitating repair processes crucial for cellular integrity.
Therapeutic significance:
Understanding the role of Centrin-2 could open doors to potential therapeutic strategies.