Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Our high-tech, dedicated method is applied to construct 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UM54
UPID:
MYO6_HUMAN
Alternative names:
Unconventional myosin-6
Alternative UPACC:
Q9UM54; A6H8V4; E1P540; Q5TEM5; Q5TEM6; Q5TEM7; Q9BZZ7; Q9UEG2
Background:
Unconventional myosin-VI, known for its reverse-direction motor activity, plays a pivotal role in cellular processes such as vesicular membrane trafficking, cell migration, and maintaining the structural integrity of the Golgi apparatus. It is essential for clathrin-mediated endocytosis in polarized epithelial cells and autophagosome maturation.
Therapeutic significance:
Linked to non-syndromic sensorineural hearing loss and hypertrophic cardiomyopathy, understanding the role of Unconventional myosin-VI could open doors to potential therapeutic strategies for these conditions.