Focused On-demand Library for Tropomyosin alpha-3 chain

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Our top-notch dedicated system is used to design specialised 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.

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

P06753

UPID:

TPM3_HUMAN

Alternative names:

Gamma-tropomyosin; Tropomyosin-3; Tropomyosin-5

Alternative UPACC:

P06753; D3DV71; P12324; Q2QD06; Q5VU58; Q5VU63; Q5VU66; Q5VU71; Q5VU72; Q8TCG3; Q969Q2; Q9NQH8

Background:

The Tropomyosin alpha-3 chain, known alternatively as Gamma-tropomyosin, Tropomyosin-3, or Tropomyosin-5, plays a pivotal role in muscle and non-muscle cells. It binds to actin filaments, crucial for calcium-dependent regulation of vertebrate striated muscle contraction and stabilizing cytoskeleton actin filaments in non-muscle cells.

Therapeutic significance:

Linked to Congenital myopathy 4A and 4B, the Tropomyosin alpha-3 chain's mutations manifest in muscle weakness and respiratory insufficiency. Understanding its role could unveil new therapeutic strategies for these muscular disorders.