Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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 top-notch dedicated system is used to design specialised 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
O00400
UPID:
ACATN_HUMAN
Alternative names:
Solute carrier family 33 member 1
Alternative UPACC:
O00400; B2R5Q2; D3DNK4
Background:
Acetyl-coenzyme A transporter 1, also known as Solute carrier family 33 member 1, plays a crucial role in transporting acetyl-CoA through the endoplasmic reticulum membrane into its lumen. This process is vital for the acetylation of protein substrates and O-acetylation of gangliosides, impacting various cellular functions.
Therapeutic significance:
The protein's involvement in Spastic paraplegia 42, autosomal dominant, and Congenital cataracts, hearing loss, and neurodegeneration, highlights its potential as a target for therapeutic intervention. Understanding its role could lead to novel treatments for these neurodegenerative disorders and congenital conditions.