Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q99640
UPID:
PMYT1_HUMAN
Alternative names:
Myt1 kinase
Alternative UPACC:
Q99640; B3KUN8; B4DXD4; D3DUA4; F8W164; I3L1V2; O14731; Q7LE24; Q8TCM9
Background:
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, also known as Myt1 kinase, plays a pivotal role in cell cycle regulation. It acts as a negative regulator of the G2 to M transition by phosphorylating CDK1 kinase, especially when CDK1 is complexed with cyclins, primarily on 'Thr-14'. Myt1 kinase is also implicated in Golgi fragmentation and may have a role in phosphorylating CDK1 on 'Tyr-15', though its tyrosine kinase activity may be indirect. It is considered a potential downstream target of the Notch signaling pathway during eye development.
Therapeutic significance:
Understanding the role of Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase could open doors to potential therapeutic strategies.