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.
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.
Our high-tech, dedicated method is applied to construct targeted 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
P53671
UPID:
LIMK2_HUMAN
Alternative names:
-
Alternative UPACC:
P53671; A8K6H5; Q7KZ80; Q7L3H5; Q96E10; Q99464; Q9UFU0
Background:
LIM domain kinase 2 (LIMK2) is a pivotal serine/threonine-protein kinase involved in actin filament dynamics regulation, crucial for cell morphology, motility, and division. It operates downstream of Rho family GTPase pathways, influencing astral microtubule organization and mitotic spindle orientation via TPPP phosphorylation. LIMK2 also modulates ciliogenesis through CFL1 phosphorylation, vesicle trafficking, and YAP1 nuclear localization, impacting transcriptional repression of AURKA and PLK1.
Therapeutic significance:
Understanding the role of LIM domain kinase 2 could open doors to potential therapeutic strategies.