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.
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 high-tech, dedicated method is applied to construct targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q5SQQ9
UPID:
VAX1_HUMAN
Alternative names:
-
Alternative UPACC:
Q5SQQ9; B1AVW5; Q6ZSX0
Background:
Ventral anterior homeobox 1, a transcription factor, plays a pivotal role in the dorsoventral specification of the forebrain. It is essential for axon guidance, major tract formation in the developing forebrain, and contributes to the differentiation of the neuroretina, pigmented epithelium, and optic stalk.
Therapeutic significance:
Linked to Microphthalmia, syndromic, 11, a rare condition characterized by eye formation disorders and various cranial abnormalities, Ventral anterior homeobox 1's gene variants are crucial for understanding this disease. Targeting these gene variants could lead to innovative treatments for patients.