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.
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
Q8IU89
UPID:
CERS3_HUMAN
Alternative names:
Dihydroceramide synthase 3; LAG1 longevity assurance homolog 3; Sphingosine N-acyltransferase CERS3; Ultra-long-chain ceramide synthase CERS3; Very-long-chain ceramide synthase CERS3
Alternative UPACC:
Q8IU89; Q8NE64; Q8NEN6
Background:
Ceramide Synthase 3 (CERS3) plays a pivotal role in skin health, catalyzing the formation of ceramides with very- and ultra-long-chain fatty acids. These ceramides are essential for maintaining the epidermal lipid barrier and facilitating skin cell differentiation. CERS3's specificity towards sphinganine and sphingosine bases underscores its critical function in both the de novo synthesis and salvage pathways of ceramide production.
Therapeutic significance:
CERS3's mutation leads to Ichthyosis, congenital, autosomal recessive 9, characterized by abnormal skin scaling. Understanding the role of Ceramide Synthase 3 could open doors to potential therapeutic strategies for treating skin disorders by restoring epidermal lipid homeostasis and promoting healthy skin differentiation.