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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P00709
UPID:
LALBA_HUMAN
Alternative names:
Lactose synthase B protein; Lysozyme-like protein 7
Alternative UPACC:
P00709; Q6FGX0; Q9UDK4
Background:
Alpha-lactalbumin, also known as Lactose synthase B protein or Lysozyme-like protein 7, plays a crucial role in lactose synthesis, the primary carbohydrate in milk. It acts as a regulatory subunit, modifying galactosyltransferase's substrate specificity in the mammary gland to favor glucose, facilitating lactose production. Beyond the mammary gland, it influences glycoprotein formation by transferring galactose onto oligosaccharide chains.
Therapeutic significance:
Understanding the role of Alpha-lactalbumin could open doors to potential therapeutic strategies.