Focused On-demand Library for Casein kinase I isoform epsilon

Focused On-demand Libraries - Reaxense Collaboration

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 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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 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

P49674

UPID:

KC1E_HUMAN

Alternative names:

Alternative UPACC:

P49674

Background:

Casein kinase I isoform epsilon, identified by its accession number P49674, plays a pivotal role in various cellular processes. It is known for its preferential utilization of acidic proteins such as caseins. This kinase is a key player in the Wnt signaling pathway, phosphorylating components like DVL1 and DVL2, and is implicated in the regulation of the circadian clock by controlling the phosphorylation and stability of PER1 and PER2. Its ability to inhibit cytokine-induced granulocytic differentiation highlights its regulatory versatility.

Therapeutic significance:

Understanding the role of Casein kinase I isoform epsilon could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways and cellular processes underscores its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.