Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9GZV3
UPID:
SC5A7_HUMAN
Alternative names:
Hemicholinium-3-sensitive choline transporter; Solute carrier family 5 member 7
Alternative UPACC:
Q9GZV3; Q53TF2
Background:
The High Affinity Choline Transporter 1 (HACHT1), also known as the Hemicholinium-3-sensitive choline transporter and Solute carrier family 5 member 7, is pivotal in acetylcholine synthesis. It functions as an electrogenic, voltage-dependent transporter, facilitating choline uptake into presynaptic nerve terminals, a critical step for acetylcholine production. This process is essential for effective neurotransmission, highlighting the transporter's role in neuronal activity.
Therapeutic significance:
Given its crucial role in acetylcholine synthesis, HACHT1's dysfunction is linked to neuromuscular disorders such as Neuronopathy, distal hereditary motor, 7A, and Myasthenic syndrome, congenital, 20, presynaptic. These associations underscore the potential of targeting HACHT1 in developing treatments for these debilitating conditions, offering hope for affected individuals.