Focused On-demand Library for Troponin I, fast 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.

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.

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.

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

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

P48788

UPID:

TNNI2_HUMAN

Alternative names:

Troponin I, fast-twitch isoform

Alternative UPACC:

P48788; A6NIV8; A6NJU5

Background:

Troponin I, fast skeletal muscle, identified by the accession number P48788, plays a pivotal role as the inhibitory subunit within the troponin complex. This complex is crucial for calcium-sensitivity in striated muscle actomyosin ATPase activity, facilitating muscle contraction and relaxation. Alternative names include Troponin I, fast-twitch isoform, highlighting its specific function in fast skeletal muscles.

Therapeutic significance:

The protein's mutation is linked to Arthrogryposis, distal, 2B1 (DA2B1), a condition marked by congenital joint contractures. Understanding the role of Troponin I, fast skeletal muscle, could open doors to potential therapeutic strategies for DA2B1, offering hope for targeted treatments.