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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 stands out due to several important features:
partner
Reaxense
upacc
O95445
UPID:
APOM_HUMAN
Alternative names:
Protein G3a
Alternative UPACC:
O95445; B0UX98; Q5SRP4; Q9P046; Q9UMP6
Background:
Apolipoprotein M, also known as Protein G3a, plays a crucial role in lipid transport. It has a unique ability to bind various lipids and retinoids, including sphingosine-1-phosphate, myristic acid, palmitic acid, stearic acid, retinol, all-trans-retinoic acid, and 9-cis-retinoic acid. This binding capacity suggests its involvement in multiple lipid signaling pathways and homeostasis.
Therapeutic significance:
Understanding the role of Apolipoprotein M could open doors to potential therapeutic strategies. Its capacity to interact with key lipid molecules positions it as a significant player in lipid metabolism and cardiovascular health. Exploring its functions further could lead to novel interventions for lipid-related disorders.