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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q09013
UPID:
DMPK_HUMAN
Alternative names:
DM-kinase; DM1 protein kinase; DMPK; Myotonic dystrophy protein kinase
Alternative UPACC:
Q09013; E5KR08; Q16205; Q6P5Z6
Background:
Myotonin-protein kinase, also known as DMPK or DM1 protein kinase, plays a pivotal role in skeletal muscle structure and function. It is involved in myocyte differentiation, survival, and the regulation of muscle-specific genes. DMPK is crucial for cardiac contractility and conduction, affecting cellular calcium homeostasis.
Therapeutic significance:
DMPK is linked to Dystrophia myotonica 1, a disorder with symptoms like myotonia, muscle wasting, and cardiac arrhythmias. The disease is associated with CTG repeat expansions in the DMPK gene. Understanding DMPK's role could lead to targeted therapies for this debilitating condition.