Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q15746
UPID:
MYLK_HUMAN
Alternative names:
Kinase-related protein; Telokin
Alternative UPACC:
Q15746; B4DUE3; D3DN97; O95796; O95797; O95798; O95799; Q14844; Q16794; Q17S15; Q3ZCP9; Q5MY99; Q5MYA0; Q6P2N0; Q7Z4J0; Q9C0L5; Q9UBG5; Q9UBY6; Q9UIT9
Background:
Myosin light chain kinase, smooth muscle (MLCK), also known as Kinase-related protein or Telokin, plays a pivotal role in smooth muscle contraction, cell motility, and epithelial wound healing. It achieves this through phosphorylation of myosin light chains and regulation of actin-myosin interaction. MLCK is also involved in various cellular processes including the inflammatory response, vascular permeability, and gastrointestinal motility.
Therapeutic significance:
MLCK is linked to diseases such as Aortic aneurysm, familial thoracic 7, and Megacystis-microcolon-intestinal hypoperistalsis syndrome, highlighting its potential as a target for therapeutic intervention. Understanding the role of MLCK could open doors to potential therapeutic strategies.