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.
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.
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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P27544
UPID:
CERS1_HUMAN
Alternative names:
LAG1 longevity assurance homolog 1; Longevity assurance gene 1 protein homolog 1; Protein UOG-1; Sphingoid base N-stearoyltransferase CERS1
Alternative UPACC:
P27544
Background:
Ceramide synthase 1, known as CerS1, plays a crucial role in sphingolipid metabolism by catalyzing the formation of ceramides. It exhibits high selectivity toward stearoyl-CoA, influencing the levels of C18 ceramide and dihydroceramide, particularly in skeletal muscle. This activity impacts glucose metabolism and insulin sensitivity, and is vital for brain development and Purkinje cell function.
Therapeutic significance:
CerS1's involvement in Epilepsy, progressive myoclonic 8, underscores its potential as a therapeutic target. Its role in regulating ceramide levels suggests that modulating CerS1 activity could offer new avenues for treating metabolic disorders and neurodegenerative diseases.