Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q96MT7
UPID:
CFA44_HUMAN
Alternative names:
WD repeat-containing protein 52
Alternative UPACC:
Q96MT7
Background:
Cilia- and flagella-associated protein 44, also known as WD repeat-containing protein 52, plays a crucial role in the organization and function of the sperm flagellum axoneme. This protein is essential for the proper formation and movement of sperm, facilitating successful fertilization.
Therapeutic significance:
Spermatogenic failure 20, a disorder characterized by defects in spermatogenesis leading to infertility, is directly linked to mutations in the gene encoding this protein. Understanding the role of Cilia- and flagella-associated protein 44 could open doors to potential therapeutic strategies for treating infertility related to spermatogenic defects.