Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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
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.