Focused On-demand Library for Troponin C, slow skeletal and cardiac muscles

Focused On-demand Libraries - Reaxense Collaboration

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P63316

UPID:

TNNC1_HUMAN

Alternative names:

Alternative UPACC:

P63316; O14800; P02590; P04463

Background:

Troponin C, slow skeletal and cardiac muscles, encoded by the gene with accession number P63316, plays a pivotal role in muscle contraction regulation. It is part of the troponin complex, which includes three subunits: Tn-I, Tn-T, and Tn-C itself. Tn-C's ability to bind calcium ions triggers a cascade that ultimately allows muscle fibers to contract.

Therapeutic significance:

Given its crucial role in cardiac and skeletal muscle function, Troponin C is directly implicated in serious heart conditions such as Cardiomyopathy, dilated, 1Z, and Cardiomyopathy, familial hypertrophic, 13. These associations highlight the protein's potential as a target for therapeutic interventions aimed at mitigating heart disease.