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.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P16442
UPID:
BGAT_HUMAN
Alternative names:
Fucosylglycoprotein 3-alpha-galactosyltransferase; Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase; Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase; Glycoprotein-fucosylgalactoside alpha-galactosyltransferase; Histo-blood group A transferase; Histo-blood group B transferase; NAGAT
Alternative UPACC:
P16442; B0JDB9; O14758; Q14490; Q53I57; Q6ISD4; Q6KFZ2; Q70V27; Q99484; Q99485; Q9NY01; Q9UQ68; Q9UQ69
Background:
The Histo-blood group ABO system transferase, known by various names including Fucosylglycoprotein 3-alpha-galactosyltransferase and Histo-blood group A transferase, plays a pivotal role in the ABO blood group system. It is responsible for the enzymatic conversion of the H antigen into A or B antigens through the addition of specific sugars, defining an individual's blood type as A, B, AB, or O.
Therapeutic significance:
Understanding the role of Histo-blood group ABO system transferase could open doors to potential therapeutic strategies. Its fundamental role in determining blood types suggests its potential impact on transfusion medicine and organ transplantation, highlighting the importance of further research in this area.