Focused On-demand Library for Myotonin-protein kinase

Focused On-demand Libraries - Reaxense Collaboration

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 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.