Focused On-demand Library for Troponin C, skeletal muscle

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P02585

UPID:

TNNC2_HUMAN

Alternative names:

Alternative UPACC:

P02585; Q6FH92

Background:

Troponin C, skeletal muscle, encoded by the gene with accession number P02585, plays a pivotal role in striated muscle contraction. It is part of the troponin complex, which regulates muscle contraction in response to fluctuations in intracellular calcium concentration. This complex consists of three subunits: Troponin I, which inhibits actomyosin ATPase activity; Troponin T, which binds to tropomyosin; and Troponin C, which binds calcium to initiate contraction.

Therapeutic significance:

The association of Troponin C, skeletal muscle, with Congenital myopathy 15, a disease characterized by muscle weakness and respiratory insufficiency from neonatal onset, underscores its therapeutic significance. Understanding the role of Troponin C could open doors to potential therapeutic strategies for muscle-related diseases.