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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O00160
UPID:
MYO1F_HUMAN
Alternative names:
Myosin-Ie
Alternative UPACC:
O00160; Q8WWN7
Background:
Unconventional myosin-If, also known as Myosin-Ie, is an actin-based motor molecule characterized by ATPase activity. It plays a crucial role in intracellular movements, with its divergent tails binding to membranous compartments for movement relative to actin filaments. This protein's unique structure and function distinguish it in cellular mechanics.
Therapeutic significance:
Understanding the role of Unconventional myosin-If could open doors to potential therapeutic strategies. Its involvement in intracellular transport mechanisms positions it as a key target for interventions in cellular dysfunction.