Focused On-demand Library for Protein-glutamine gamma-glutamyltransferase 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

P21980

UPID:

TGM2_HUMAN

Alternative names:

Erythrocyte transglutaminase; Heart G alpha(h); Isopeptidase TGM2; Protein G alpha(h); Protein-glutamine deamidase TGM2; Protein-glutamine dopaminyltransferase TGM2; Protein-glutamine histaminyltransferase TGM2; Protein-glutamine noradrenalinyltransferase TGM2; Protein-glutamine serotonyltransferase TGM2; Tissue transglutaminase; Transglutaminase C; Transglutaminase H; Transglutaminase II; Transglutaminase-2

Alternative UPACC:

P21980; E1P5V9; Q16436; Q6B838; Q9BTN7; Q9H035; Q9UH35

Background:

Protein-glutamine gamma-glutamyltransferase 2, also known as Tissue transglutaminase, plays a pivotal role in various biological processes including bone development, angiogenesis, wound healing, and apoptosis. It catalyzes the formation of covalent bonds between peptide-bound glutamine and primary amines, leading to cross-linked or aminated proteins. This enzyme is involved in the cross-linking of extracellular matrix proteins, contributing to scaffold formation, and mediates post-translational modifications such as protein serotonylation and dopaminylation, impacting chromatin organization and neurotransmission.

Therapeutic significance:

Understanding the role of Protein-glutamine gamma-glutamyltransferase 2 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes and ability to mediate various post-translational modifications make it a promising target for drug discovery, aiming to modulate its activity in diseases where these biological pathways are dysregulated.