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.
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
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H488
UPID:
OFUT1_HUMAN
Alternative names:
Peptide-O-fucosyltransferase 1
Alternative UPACC:
Q9H488; A8K4R8; E1P5M4; Q14685; Q5W185; Q9BW76
Background:
GDP-fucose protein O-fucosyltransferase 1, also known as Peptide-O-fucosyltransferase 1, plays a pivotal role in cellular signaling pathways through its enzymatic activity. It catalyzes the attachment of fucose to serine or threonine residues in EGF domains, a process critical for proper protein function. This fucosylation is essential for NOTCH signaling, a pathway involved in cell differentiation, proliferation, and apoptosis. The protein's activity on AGRN influences acetylcholine receptor clustering, highlighting its importance in neuromuscular junctions.
Therapeutic significance:
The association of GDP-fucose protein O-fucosyltransferase 1 with Dowling-Degos disease 2, a genodermatosis characterized by reticulate hyperpigmentation and hyperkeratotic papules, underscores its clinical relevance. Understanding the role of this protein could open doors to potential therapeutic strategies for treating this disfiguring skin condition.