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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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
O15457
UPID:
MSH4_HUMAN
Alternative names:
-
Alternative UPACC:
O15457; Q5T4U6; Q8NEB3; Q9UNP8
Background:
MutS protein homolog 4 plays a pivotal role in meiotic recombination, ensuring the accurate segregation of homologous chromosomes during meiosis. This protein's function is crucial for genetic diversity and stability across generations.
Therapeutic significance:
MutS protein homolog 4 is directly implicated in Spermatogenic failure 2 and Premature ovarian failure 20, both of which are reproductive disorders caused by genetic variants affecting this protein. Understanding its role could lead to novel treatments for these infertility issues.