Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
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.