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 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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
O95932
UPID:
TGM3L_HUMAN
Alternative names:
Transglutaminase Y; Transglutaminase-3-like; Transglutaminase-6
Alternative UPACC:
O95932; Q5JXU4; Q5JXU5; Q719M2; Q719M3; Q9Y4U8
Background:
Protein-glutamine gamma-glutamyltransferase 6, also known as Transglutaminase-6, plays a crucial role in the cross-linking of proteins and the conjugation of polyamines to proteins. This enzyme's activity is pivotal in various cellular processes, including the post-translational modification of proteins.
Therapeutic significance:
Spinocerebellar ataxia 35, a disorder characterized by progressive incoordination and degeneration of the cerebellum, is linked to mutations affecting this protein. Understanding the role of Protein-glutamine gamma-glutamyltransferase 6 could open doors to potential therapeutic strategies for this debilitating condition.