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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
P02771
UPID:
FETA_HUMAN
Alternative names:
Alpha-1-fetoprotein; Alpha-fetoglobulin
Alternative UPACC:
P02771; B2RBU3
Background:
Alpha-fetoprotein (AFP), also known as Alpha-1-fetoprotein or Alpha-fetoglobulin, plays a crucial role in binding substances like copper, nickel, fatty acids, and bilirubin. Its unique ability to bind less to bilirubin than serum albumin, coupled with its estrogen-binding properties in a small fraction of the protein, highlights its multifunctionality in biological systems.
Therapeutic significance:
AFP is linked to conditions such as Alpha-fetoprotein deficiency, a benign state with undetectable AFP levels in amniotic fluid, and hereditary persistence of alpha-fetoprotein, an autosomal dominant condition. Understanding AFP's role could lead to novel therapeutic strategies for these conditions.