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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9P0L2
UPID:
MARK1_HUMAN
Alternative names:
MAP/microtubule affinity-regulating kinase 1; PAR1 homolog c
Alternative UPACC:
Q9P0L2; D3DTB0; D3DTB1; Q2HIY1; Q5VTF9; Q5VTG0; Q96SW9; Q9P251
Background:
Serine/threonine-protein kinase MARK1, also known as MAP/microtubule affinity-regulating kinase 1 and PAR1 homolog c, plays a pivotal role in cell polarity and microtubule dynamics regulation. It phosphorylates several key proteins such as DCX, MAP2, MAP4, and the microtubule-associated protein MAPT/TAU, facilitating their detachment from microtubules and subsequent disassembly. MARK1's dual activities in cellular polarity and microtubule dynamics are crucial for neuronal migration. Additionally, it serves as a positive regulator of the Wnt signaling pathway through phosphorylation of dishevelled proteins.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase MARK1 could open doors to potential therapeutic strategies.