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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9BVA0
UPID:
KTNB1_HUMAN
Alternative names:
p80 katanin
Alternative UPACC:
Q9BVA0; A6NCG6; O60620
Background:
Katanin p80 WD40 repeat-containing subunit B1, also known as p80 katanin, plays a crucial role in cellular microtubule dynamics. It is involved in severing microtubules in an ATP-dependent manner, facilitating the rapid reorganization of microtubule arrays and their transport into neuronal processes, essential for axonal growth.
Therapeutic significance:
The protein's mutation is linked to Lissencephaly 6 with microcephaly, characterized by severe brain malformations. Understanding the role of Katanin p80 could open doors to potential therapeutic strategies for this debilitating condition.