Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q92539
UPID:
LPIN2_HUMAN
Alternative names:
Lipin-2
Alternative UPACC:
Q92539; A7MD25; D3DUH3
Background:
Phosphatidate phosphatase LPIN2, also known as Lipin-2, plays a crucial role in lipid metabolism. It acts as a magnesium-dependent enzyme, catalyzing the conversion of phosphatidic acid to diacylglycerol. This process is vital for the biosynthesis of triglycerides, phosphatidylcholine, and phosphatidylethanolamine in the reticulum endoplasmic membrane. Additionally, LPIN2 serves as a nuclear transcriptional coactivator for PPARGC1A, further modulating lipid metabolism.
Therapeutic significance:
LPIN2's involvement in Majeed syndrome, a condition characterized by chronic recurrent multifocal osteomyelitis, congenital dyserythropoietic anemia, and transient inflammatory dermatosis, highlights its therapeutic significance. Understanding the role of LPIN2 could open doors to potential therapeutic strategies for treating Majeed syndrome and related lipid metabolism disorders.