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.
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
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q5T655
UPID:
CFA58_HUMAN
Alternative names:
Coiled-coil domain-containing protein 147
Alternative UPACC:
Q5T655; D3DRA6; Q8NA27
Background:
Cilia- and flagella-associated protein 58, also known as Coiled-coil domain-containing protein 147, plays a pivotal role in sperm flagellar axoneme assembly and organization. This protein is crucial for the elongation of the primary cilium and the sperm flagellar midpiece, modulating the Notch signaling pathway to ensure proper cellular function and development.
Therapeutic significance:
Linked to Spermatogenic failure 49, a disorder marked by asthenoteratozoospermia and abnormal sperm flagella, understanding the role of Cilia- and flagella-associated protein 58 could open doors to potential therapeutic strategies. Targeting this protein's pathway may offer new avenues for treating infertility related to flagellar defects.