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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6SJ93
UPID:
F111B_HUMAN
Alternative names:
Cancer-associated nucleoprotein
Alternative UPACC:
Q6SJ93; B4E2G2; Q6P661
Background:
Serine protease FAM111B, also known as Cancer-associated nucleoprotein, plays a crucial role in cellular processes with its serine protease activity. This protein's unique functions contribute significantly to understanding cellular mechanisms and disease pathogenesis.
Therapeutic significance:
The protein is directly linked to Poikiloderma, hereditary fibrosing, with tendon contractures, myopathy, and pulmonary fibrosis. This association highlights its potential as a target for therapeutic intervention, aiming to alleviate symptoms and improve quality of life for affected individuals.