Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 utilise our cutting-edge, exclusive workflow to develop focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P27352
UPID:
IF_HUMAN
Alternative names:
Gastric intrinsic factor; Intrinsic factor
Alternative UPACC:
P27352; B2RAN8; B4DVZ1
Background:
Cobalamin binding intrinsic factor, also known as Gastric intrinsic factor, is pivotal for the absorption of vitamin B12 (cobalamin) in the ileum. It forms a complex with cobalamin and CUBN, facilitating receptor-mediated endocytosis.
Therapeutic significance:
Linked to Hereditary intrinsic factor deficiency, a disorder marked by megaloblastic anemia, this protein's understanding could lead to novel treatments for vitamin B12 absorption deficiencies.