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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q6IQ55
UPID:
TTBK2_HUMAN
Alternative names:
-
Alternative UPACC:
Q6IQ55; O94932; Q6ZN52; Q8IVV1
Background:
Tau-tubulin kinase 2 plays a pivotal role in ciliogenesis by regulating the initiation process through specific phosphorylation actions. It facilitates the removal of CCP110, allowing for the recruitment of IFT proteins essential for building the ciliary axoneme. Moreover, it exhibits substrate preference for proteins pre-phosphorylated on a Tyr residue and is capable of phosphorylating tau and MPHOSPH9, impacting their functions and stability.
Therapeutic significance:
Given its involvement in Spinocerebellar ataxia 11, a disorder characterized by progressive incoordination and cerebellum degeneration, Tau-tubulin kinase 2 presents a promising target for therapeutic intervention. Understanding its role could pave the way for novel treatments for this and potentially other ciliopathies.