Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9H237
UPID:
PORCN_HUMAN
Alternative names:
Protein MG61
Alternative UPACC:
Q9H237; B2RBN8; B7ZAR3; Q14829; Q9H234; Q9H235; Q9H236; Q9UJU7
Background:
Protein-serine O-palmitoleoyltransferase porcupine, also known as Protein MG61, plays a pivotal role in the Wnt signaling pathway. It facilitates the attachment of palmitoleate, a specific fatty acid, to Wnt proteins, which is crucial for their interaction with frizzled receptors.
Therapeutic significance:
Given its central role in the Wnt signaling pathway, which is implicated in Focal dermal hypoplasia, understanding the function of Protein-serine O-palmitoleoyltransferase porcupine could pave the way for novel therapeutic approaches for this and potentially other related disorders.