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.
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 top-notch dedicated system is used to design specialised 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
P06727
UPID:
APOA4_HUMAN
Alternative names:
Apolipoprotein A4
Alternative UPACC:
P06727; A8MSL6; Q14CW8; Q6Q787
Background:
Apolipoprotein A-IV, also known as Apoa-IV, plays a crucial role in lipid metabolism. It is involved in the secretion and catabolism of chylomicrons and VLDL, essential processes for the distribution and breakdown of triglycerides. Furthermore, Apoa-IV is a potent activator of LCAT, an enzyme critical for the maturation of HDL, and facilitates the efficient activation of lipoprotein lipase by ApoC-II, vital for lipid hydrolysis.
Therapeutic significance:
Understanding the role of Apolipoprotein A-IV could open doors to potential therapeutic strategies. Its significant involvement in lipid metabolism and HDL function suggests that targeting Apoa-IV could offer new avenues for treating dyslipidemia and associated cardiovascular diseases.