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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 employ our advanced, specialised process to create targeted 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8NEH6
UPID:
MNS1_HUMAN
Alternative names:
-
Alternative UPACC:
Q8NEH6; Q8IYT6; Q9NUP4
Background:
Meiosis-specific nuclear structural protein 1 plays a pivotal role in cilia axoneme structure, essential for motile cilia beating and sperm flagella assembly. Its involvement in microtubule inner protein functions and the outer dynein arm-docking complex suggests a broad impact on cellular motility and structural integrity.
Therapeutic significance:
Linked to Heterotaxy, visceral, 9, with male infertility, understanding Meiosis-specific nuclear structural protein 1's role could unveil new therapeutic avenues. Its critical function in motile cilia and sperm motility highlights its potential in treating related congenital defects and infertility issues.