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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q99536
UPID:
VAT1_HUMAN
Alternative names:
-
Alternative UPACC:
Q99536; A8K345; B0AZP7; B4DPX4; Q13035; Q5BKZ7; Q96A39; Q9BUT8
Background:
The Synaptic vesicle membrane protein VAT-1 homolog is known for its ATPase activity, playing a crucial role in calcium-regulated keratinocyte activation during epidermal repair. It does not influence cell proliferation but negatively regulates mitochondrial fusion alongside mitofusin proteins.
Therapeutic significance:
Understanding the role of Synaptic vesicle membrane protein VAT-1 homolog could open doors to potential therapeutic strategies.