Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9NQX4
UPID:
MYO5C_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NQX4; Q6P1W8
Background:
Unconventional myosin-Vc plays a pivotal role in cellular processes, primarily through its involvement in transferrin trafficking. This protein is essential for the actin-based membrane trafficking that occurs in various critical tissues, ensuring proper cellular function and homeostasis.
Therapeutic significance:
Understanding the role of Unconventional myosin-Vc could open doors to potential therapeutic strategies. Its crucial involvement in membrane trafficking highlights its potential as a target for interventions in diseases where cellular transport mechanisms are disrupted.