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.
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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q5SRE7
UPID:
PHYD1_HUMAN
Alternative names:
-
Alternative UPACC:
Q5SRE7; A6PWN9; A6PWP0; B3KT57; B4E3X8; Q5SRE9; Q5SRF0; Q7Z623; Q7Z7P9; Q96GM4
Background:
Phytanoyl-CoA dioxygenase domain-containing protein 1, encoded by the gene with accession number Q5SRE7, plays a crucial role in cellular metabolism. It functions as a 2-oxoglutarate(2OG)-dependent dioxygenase, catalyzing the conversion of 2-oxoglutarate to succinate and CO2 in an iron-dependent manner. Notably, this protein does not participate in the hydroxylation of acyl-coenzyme A derivatives, indicating its specificity and unique role in metabolic pathways.
Therapeutic significance:
Understanding the role of Phytanoyl-CoA dioxygenase domain-containing protein 1 could open doors to potential therapeutic strategies. Its specific metabolic functions, distinct from phytanoyl coenzyme-A metabolism and fatty acid CoA thioester activity, make it an intriguing target for drug discovery efforts aimed at metabolic disorders.