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.
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.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9Y4Z2
UPID:
NGN3_HUMAN
Alternative names:
Class A basic helix-loop-helix protein 7; Protein atonal homolog 5
Alternative UPACC:
Q9Y4Z2; Q5VVI0; Q6DJX6; Q9BY24
Background:
Neurogenin-3, known as Neurogenin-3 or Class A basic helix-loop-helix protein 7, plays a pivotal role in neurogenesis and the development of pancreatic endocrine cells. It acts as a transcriptional regulator, initiating the transcriptional activation of NEUROD1 in collaboration with NKX2-2.
Therapeutic significance:
Linked to Diarrhea 4, malabsorptive, congenital, a severe disease marked by life-threatening diarrhea, Neurogenin-3's study could lead to groundbreaking treatments for this and potentially other related disorders.