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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P22914
UPID:
CRYGS_HUMAN
Alternative names:
Beta-crystallin S; Gamma-S-crystallin
Alternative UPACC:
P22914; B2RAF8
Background:
Gamma-crystallin S, also known as Beta-crystallin S or Gamma-S-crystallin, plays a pivotal role in the vertebrate eye lens, serving as a dominant structural component. This protein's unique structure and function are crucial for maintaining lens transparency and refractive power, essential for clear vision.
Therapeutic significance:
Gamma-crystallin S is linked to Cataract 20, multiple types, a condition characterized by lens opacification leading to visual impairment or blindness. Understanding the role of Gamma-crystallin S could open doors to potential therapeutic strategies for cataract prevention and treatment.