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.
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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9H267
UPID:
VP33B_HUMAN
Alternative names:
-
Alternative UPACC:
Q9H267; B3KQF6; Q96K14; Q9NRP6; Q9NSF3
Background:
Vacuolar protein sorting-associated protein 33B (VPS33B) plays a crucial role in vesicle-mediated protein trafficking to lysosomal compartments, membrane docking/fusion reactions of late endosomes/lysosomes, and is essential for the proper trafficking of lysyl hydroxylase 3 to intracellular collagen. It also mediates phagolysosomal fusion in macrophages and is involved in endosomal maturation, implicating VIPAS39 in these processes.
Therapeutic significance:
VPS33B is linked to several genetic disorders, including Arthrogryposis, renal dysfunction and cholestasis syndrome 1, Keratoderma-ichthyosis-deafness syndrome, and progressive familial intrahepatic cholestasis 12. These associations highlight its potential as a target for therapeutic intervention in these diseases.