Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q14680
UPID:
MELK_HUMAN
Alternative names:
Protein kinase Eg3; Protein kinase PK38; Tyrosine-protein kinase MELK
Alternative UPACC:
Q14680; A6P3A7; A6P3A8; B1AMQ6; B7Z1E6; B7Z5M5; B7Z6Q7; B7Z6R8; B7Z6Y0; B7Z7Q1; D3DRP8; F5H0Y0; F5H2R4; F5H689; Q7L3C3
Background:
Maternal embryonic leucine zipper kinase, known as Protein kinase Eg3, Protein kinase PK38, and Tyrosine-protein kinase MELK, is a serine/threonine-protein kinase pivotal in cell cycle regulation, stem cell renewal, apoptosis, and splicing regulation. It phosphorylates a range of substrates including BCL2L14, CDC25B, MAP3K5/ASK1, and ZNF622, playing a crucial role in apoptosis activation, cell cycle mediation, cell proliferation, and carcinogenesis.
Therapeutic significance:
Understanding the role of Maternal embryonic leucine zipper kinase could open doors to potential therapeutic strategies, especially in targeting cell proliferation and carcinogenesis.