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.
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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:
partner
Reaxense
upacc
Q7KZI7
UPID:
MARK2_HUMAN
Alternative names:
ELKL motif kinase 1; MAP/microtubule affinity-regulating kinase 2; PAR1 homolog; PAR1 homolog b
Alternative UPACC:
Q7KZI7; Q15449; Q15524; Q5XGA3; Q68A18; Q96HB3; Q96RG0
Background:
Serine/threonine-protein kinase MARK2, also known as ELKL motif kinase 1 and MAP/microtubule affinity-regulating kinase 2, plays a pivotal role in cell polarity and microtubule dynamics regulation. It phosphorylates a range of substrates including CRTC2/TORC2, DCX, and MAPT/TAU, influencing microtubule-associated protein detachment and disassembly. MARK2 is crucial for neuronal migration, axogenesis, and the establishment of neuronal polarity, as well as modulating the Wnt signaling pathway.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase MARK2 could open doors to potential therapeutic strategies.