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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9BS86
UPID:
ZPBP1_HUMAN
Alternative names:
Inner acrosomal membrane IAM38; Sp38
Alternative UPACC:
Q9BS86; A4D253; C9JPU1; Q15941; Q75KX9; Q75MI3
Background:
Zona pellucida-binding protein 1, also known as Inner acrosomal membrane IAM38 or Sp38, plays a crucial role in acrosome compaction and sperm morphogenesis. This protein is implicated in sperm-oocyte interaction during fertilization, highlighting its importance in reproductive biology.
Therapeutic significance:
Given its involvement in Spermatogenic failure 66, a disorder characterized by globozoospermia leading to male infertility, understanding the role of Zona pellucida-binding protein 1 could open doors to potential therapeutic strategies aimed at alleviating infertility issues.