Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
O75165
UPID:
DJC13_HUMAN
Alternative names:
Required for receptor-mediated endocytosis 8
Alternative UPACC:
O75165; Q3L0T1; Q6PI82; Q6UJ77; Q6ZSW1; Q6ZUT5; Q86XG3; Q96DC1; Q9BWK9
Background:
DnaJ homolog subfamily C member 13, also known as Required for receptor-mediated endocytosis 8, plays a crucial role in membrane trafficking. It is involved in the transport from early endosomes to recycling and late endosomes, impacting the recycling of transferrin and degradation of EGF and EGFR. Its association with WASHC2 connects the WASH complex to the retromer SNX-BAR subcomplex, influencing endosomal membrane tubulation and SNX1 dynamics.
Therapeutic significance:
Parkinson disease, a complex neurodegenerative disorder, is linked to genetic variants in DNAJC13. Understanding the role of DnaJ homolog subfamily C member 13 could open doors to potential therapeutic strategies for Parkinson's, focusing on its involvement in membrane trafficking and protein aggregation.