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.
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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9UHF0
UPID:
TKNK_HUMAN
Alternative names:
ZNEUROK1
Alternative UPACC:
Q9UHF0; Q6IAG2; Q71BC6; Q71BC9
Background:
Tachykinin-3, also known as ZNEUROK1, plays a pivotal role in the nervous system. It is a potent vasodilator, secretagogue, and can influence smooth muscle behavior. Its primary function is as a central regulator of gonadal function, highlighting its importance in reproductive biology.
Therapeutic significance:
The protein is linked to Hypogonadotropic hypogonadism 10 with or without anosmia, a condition marked by low sexual development and gonadotropin levels. Understanding Tachykinin-3's role could lead to novel treatments for reproductive disorders.