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. Our partner 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.
Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q5VT25
UPID:
MRCKA_HUMAN
Alternative names:
CDC42-binding protein kinase alpha; DMPK-like alpha; Myotonic dystrophy kinase-related CDC42-binding kinase alpha
Alternative UPACC:
Q5VT25; O75039; Q59GZ1; Q5H9N9; Q5T797; Q5VT26; Q5VT27; Q86XX2; Q86XX3; Q99646
Background:
Serine/threonine-protein kinase MRCK alpha, also known as CDC42-binding protein kinase alpha, plays a pivotal role in cellular processes by regulating cytoskeleton reorganization and cell migration. It achieves this through phosphorylation of key proteins such as PPP1R12C and MYL9/MLC2, influencing actin cytoskeletal dynamics crucial for cell movement and structure.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase MRCK alpha could open doors to potential therapeutic strategies.