Focused On-demand Library for Troponin C, skeletal muscle

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.

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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.