Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q14693
UPID:
LPIN1_HUMAN
Alternative names:
Lipin-1
Alternative UPACC:
Q14693; A8MU38; B4DET9; B4DGS4; B4DGZ6; B5MC18; B7Z858; D6W506; E7ESE7; F5GY24; Q53T25
Background:
Lipin-1, encoded by the LPIN1 gene, serves as a crucial enzyme in lipid metabolism, catalyzing the conversion of phosphatidic acid to diacylglycerol. This process is pivotal for the biosynthesis of triglycerides and phospholipids, influencing fatty acid metabolism at various levels. Additionally, Lipin-1 plays a significant role in adipocyte differentiation and acts as a transcriptional coactivator in lipid metabolism gene expression, particularly within the PPARGC1A/PPARA regulatory pathway. Its presence is also noted at the mitochondrion outer membrane, contributing to mitochondrial fission.
Therapeutic significance:
The association of Lipin-1 with acute recurrent myoglobinuria, a condition marked by muscle pain, weakness, and potential renal failure, underscores its clinical importance. Understanding the multifaceted roles of Lipin-1 could pave the way for innovative therapeutic strategies targeting lipid metabolism disorders and mitochondrial dysfunctions.