Focused On-demand Library for MAP/microtubule affinity-regulating kinase 4

Focused On-demand Libraries - Receptor.AI Collaboration


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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening 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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
Q96L34

UPID:
MARK4_HUMAN

ALTERNATIVE NAMES:
MAP/microtubule affinity-regulating kinase-like 1

ALTERNATIVE UPACC:
Q96L34; Q8NG37; Q96JG7; Q96SQ2; Q9BYD8

BACKGROUND:
The protein MAP/microtubule affinity-regulating kinase 4, with alternative name MAP/microtubule affinity-regulating kinase-like 1, functions as a serine/threonine-protein kinase. It targets microtubule-associated proteins such as MAPT/TAU, MAP2, and MAP4 for phosphorylation, facilitating microtubule network regulation and bundle formation. This kinase is vital for initiating axoneme extension in cilium assembly and plays a role in the G1/S cell cycle checkpoint. Additionally, it is involved in regulating neuronal survival, energy balance, adipogenesis, apoptosis, and acts as a negative regulator of the mTORC1 complex through RPTOR phosphorylation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of MAP/microtubule affinity-regulating kinase 4 could open doors to potential therapeutic strategies.

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