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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H2P9
UPID:
DPH5_HUMAN
Alternative names:
Diphthamide biosynthesis methyltransferase
Alternative UPACC:
Q9H2P9; A8JZY6; D3DT62; Q9P017; Q9P0I4; Q9Y319
Background:
Diphthine methyl ester synthase, also known as Diphthamide biosynthesis methyltransferase, plays a crucial role in protein synthesis. It is a S-adenosyl-L-methionine-dependent methyltransferase, responsible for catalyzing four methylations of the modified target histidine residue in translation elongation factor 2 (EF-2), a process integral to diphthamide biosynthesis.
Therapeutic significance:
The protein is linked to a neurodevelopmental disorder characterized by short stature, prominent forehead, and feeding difficulties. Understanding the role of Diphthine methyl ester synthase could open doors to potential therapeutic strategies for this autosomal recessive disorder.