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 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.
Our high-tech, dedicated method is applied to construct 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P81172
UPID:
HEPC_HUMAN
Alternative names:
Liver-expressed antimicrobial peptide 1; Putative liver tumor regressor
Alternative UPACC:
P81172; Q1HE14; Q9BY68
Background:
Hepcidin, also known as Liver-expressed antimicrobial peptide 1 or Putative liver tumor regressor, is a pivotal regulator of iron metabolism. It controls iron absorption and distribution by promoting the degradation of ferroportin, thus influencing iron flow into the plasma. Additionally, Hepcidin exhibits antimicrobial activity against a range of bacteria and fungi, highlighting its role in the immune response.
Therapeutic significance:
The association of Hepcidin with Hemochromatosis 2B, a juvenile form of iron metabolism disorder, underscores its therapeutic potential. Targeting Hepcidin's pathway could lead to innovative treatments for iron-related disorders, offering hope for patients suffering from conditions like hepatic cirrhosis, diabetes, and cardiomyopathy.