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.
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
Q9UPQ8
UPID:
DOLK_HUMAN
Alternative names:
Transmembrane protein 15
Alternative UPACC:
Q9UPQ8; Q5SRE6
Background:
Dolichol kinase, also known as Transmembrane protein 15, plays a pivotal role in the biosynthesis of dolichyl monophosphate (Dol-P), a crucial lipid carrier in the synthesis of N-linked and O-linked oligosaccharides and for GPI anchors. This enzyme's activity is essential for proper glycoprotein formation, impacting various cellular functions and developmental processes.
Therapeutic significance:
The enzyme's link to Congenital disorder of glycosylation 1M, a severe disease with early life mortality, underscores its critical role in human health. Targeting Dolichol kinase could offer novel therapeutic avenues for treating this congenital disorder, highlighting the importance of understanding its function and regulation.