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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9UBX0
UPID:
HESX1_HUMAN
Alternative names:
Homeobox protein ANF
Alternative UPACC:
Q9UBX0; Q52LC5; Q99667
Background:
Homeobox expressed in ES cells 1 (HESX1), also known as Homeobox protein ANF, plays a pivotal role in the development of the forebrain, eyes, and other anterior structures. It functions as a possible transcriptional repressor, binding to specific DNA sequences to regulate gene expression. HESX1's interaction with PROP1 is crucial for the normal development of olfactory placodes and the pituitary gland.
Therapeutic significance:
HESX1 is implicated in several developmental disorders, including Septooptic dysplasia, Growth hormone deficiency with pituitary anomalies, and Combined pituitary hormone deficiency. Understanding the role of HESX1 could open doors to potential therapeutic strategies for these conditions.