Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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 use our state-of-the-art dedicated workflow for designing focused 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
Q8NEM0
UPID:
MCPH1_HUMAN
Alternative names:
-
Alternative UPACC:
Q8NEM0; A0A075B6F8; B4DWW2; E9PGU5; E9PH63; Q66GU1; Q9H9C7
Background:
Microcephalin, encoded by the gene with accession number Q8NEM0, plays a crucial role in chromosome condensation and DNA damage response. It is also involved in neurogenesis and the regulation of cerebral cortex size, highlighting its importance in brain development.
Therapeutic significance:
Microcephalin's link to Microcephaly 1, an autosomal recessive disorder characterized by significantly reduced brain size and mental retardation, underscores its therapeutic potential. Understanding the role of Microcephalin could open doors to potential therapeutic strategies for treating or managing this condition.