Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O75449
UPID:
KTNA1_HUMAN
Alternative names:
p60 katanin
Alternative UPACC:
O75449; E1P5A3; Q5TFA8; Q5TFA9; Q86VN2; Q9NU52
Background:
Katanin p60 ATPase-containing subunit A1, also known as p60 katanin, plays a pivotal role in cellular dynamics by severing microtubules in an ATP-dependent manner. This action facilitates the rapid reorganization of microtubule arrays and is crucial for processes such as mitotic spindle disassembly and axonal growth, by enabling microtubule release and transport within neurons.
Therapeutic significance:
Understanding the role of Katanin p60 ATPase-containing subunit A1 could open doors to potential therapeutic strategies.