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 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.
We use our state-of-the-art dedicated workflow for designing 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6DT37
UPID:
MRCKG_HUMAN
Alternative names:
CDC42-binding protein kinase gamma; DMPK-like gamma; Myotonic dystrophy kinase-related CDC42-binding kinase gamma; Myotonic dystrophy protein kinase-like alpha
Alternative UPACC:
Q6DT37; O00565
Background:
Serine/threonine-protein kinase MRCK gamma, also known as CDC42-binding protein kinase gamma, plays a crucial role in cytoskeletal reorganization. It acts as a downstream effector of CDC42, influencing cell invasion by regulating MYPT1 and MLC2 phosphorylation.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase MRCK gamma could open doors to potential therapeutic strategies.