Focused On-demand Library for Serine/threonine-protein kinase TNNI3K

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q59H18

UPID:

TNI3K_HUMAN

Alternative names:

Cardiac ankyrin repeat kinase; Cardiac troponin I-interacting kinase; TNNI3-interacting kinase

Alternative UPACC:

Q59H18; Q17RN0; Q49AR1; Q6MZS9; Q9Y2V6

Background:

Serine/threonine-protein kinase TNNI3K, also known as Cardiac ankyrin repeat kinase, Cardiac troponin I-interacting kinase, and TNNI3-interacting kinase, plays a pivotal role in cardiac physiology. Its unique structure, characterized by the presence of ankyrin repeats, positions it as a crucial mediator in cardiac muscle function.

Therapeutic significance:

The protein is directly implicated in Cardiac conduction disease with or without dilated cardiomyopathy, a disorder marked by atrial tachyarrhythmia and conduction system disease. Understanding the role of Serine/threonine-protein kinase TNNI3K could open doors to potential therapeutic strategies for managing this cardiac disorder.