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.
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 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
P02008
UPID:
HBAZ_HUMAN
Alternative names:
HBAZ; Hemoglobin zeta chain; Zeta-globin
Alternative UPACC:
P02008; Q6IBF6
Background:
Hemoglobin subunit zeta, also known as HBAZ or Zeta-globin, is an alpha-type chain of mammalian embryonic hemoglobin. This protein plays a crucial role during the embryonic phase, contributing to the early stages of mammalian oxygen transport and erythropoiesis.
Therapeutic significance:
Understanding the role of Hemoglobin subunit zeta could open doors to potential therapeutic strategies. Its involvement in embryonic hemoglobin suggests its significance in developmental biology and potential implications in treating hematological disorders.