Focused On-demand Library for Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.