Focused On-demand Library for Troponin T, slow skeletal muscle

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

P13805

UPID:

TNNT1_HUMAN

Alternative names:

Slow skeletal muscle troponin T

Alternative UPACC:

P13805; O95472; Q16061; Q5U0E1

Background:

Troponin T, slow skeletal muscle, identified by the UPACC P13805, is a crucial component of the troponin complex. It plays a pivotal role in muscle contraction by binding to tropomyosin, thereby regulating the calcium-sensitivity of striated muscle actomyosin ATPase activity. This protein's alternative name, Slow skeletal muscle troponin T, underscores its specific function in slow-twitch muscle fibers.

Therapeutic significance:

Nemaline myopathy 5, a severe muscular disorder characterized by muscle weakness and respiratory insufficiency, is directly linked to variants affecting the Troponin T, slow skeletal muscle gene. Understanding the role of Troponin T, slow skeletal muscle could open doors to potential therapeutic strategies for this debilitating condition.