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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9HB96
UPID:
FANCE_HUMAN
Alternative names:
-
Alternative UPACC:
Q9HB96; A8K907; Q4ZGH2
Background:
The Fanconi anemia group E protein plays a pivotal role in DNA repair, specifically in the process of DNA cross-links repair. It is essential for the nuclear accumulation of FANCC and acts as a bridge between the FA complex and FANCD2, highlighting its critical function in maintaining genomic stability.
Therapeutic significance:
Fanconi anemia complementation group E, a disorder linked to this protein, affects bone marrow elements leading to various malformations and a predisposition to malignancies. Understanding the role of Fanconi anemia group E protein could open doors to potential therapeutic strategies, especially in enhancing DNA repair mechanisms.