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 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.
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.
We use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P69891
UPID:
HBG1_HUMAN
Alternative names:
Gamma-1-globin; Hb F Agamma; Hemoglobin gamma-1 chain; Hemoglobin gamma-A chain
Alternative UPACC:
P69891; P02096; P62027; Q549G1; Q8TDA1; Q96FH7
Background:
Hemoglobin subunit gamma-1, also known as Gamma-1-globin, Hb F Agamma, Hemoglobin gamma-1 chain, and Hemoglobin gamma-A chain, plays a pivotal role in the composition of fetal hemoglobin F, alongside alpha chains. This protein is essential for carrying oxygen from the mother to the fetus during pregnancy.
Therapeutic significance:
Understanding the role of Hemoglobin subunit gamma-1 could open doors to potential therapeutic strategies. Its critical function in fetal development highlights its importance in medical research and drug discovery.