Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 employ our advanced, specialised process to create 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
P53667
UPID:
LIMK1_HUMAN
Alternative names:
-
Alternative UPACC:
P53667; B7Z6I8; D3DXF4; D3DXF5; O15283; Q15820; Q15821; Q75MU3; Q9Y5Q1
Background:
LIM domain kinase 1 (LIMK1) is a serine/threonine-protein kinase pivotal in actin filament dynamics regulation. It operates downstream of Rho family GTPase pathways, activated by kinases like ROCK1, PAK1, and PAK4. LIMK1 phosphorylates and inactivates actin depolymerizing factors such as cofilin-1/CFL1, stabilizing the actin cytoskeleton. This stabilization is crucial for cell motility, cycle progression, and differentiation. Additionally, LIMK1 phosphorylates TPPP, promoting microtubule disassembly.
Therapeutic significance:
Understanding the role of LIM domain kinase 1 could open doors to potential therapeutic strategies.