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.
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
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9H6X2
UPID:
ANTR1_HUMAN
Alternative names:
Tumor endothelial marker 8
Alternative UPACC:
Q9H6X2; A8K7U8; J7K7G4; J7KF88; Q4ZFV6; Q53QD8; Q96P02; Q9NVP3
Background:
Anthrax toxin receptor 1, also known as Tumor endothelial marker 8, plays a crucial role in cell attachment, migration, and angiogenesis. It mediates cell adhesion to collagen and gelatin, promoting cell spreading and actin cytoskeleton reorganization. Additionally, it serves as a receptor for B.anthracis protective antigen, highlighting its role in microbial infection responses.
Therapeutic significance:
The protein's involvement in Hemangioma, capillary infantile, and GAPO syndrome, due to gene variants, underscores its therapeutic potential. Targeting Anthrax toxin receptor 1 could lead to innovative treatments for these conditions, emphasizing the importance of further research into its functions and disease associations.