Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P17081
UPID:
RHOQ_HUMAN
Alternative names:
Ras-like protein TC10; Ras-like protein family member 7A
Alternative UPACC:
P17081; D6W5A6; Q0VGN1; Q52LS8; Q53SJ1; Q6NS39; Q6P146; Q7Z480
Background:
The Rho-related GTP-binding protein RhoQ, also known as Ras-like protein TC10 and Ras-like protein family member 7A, is a plasma membrane-associated small GTPase. It alternates between an active GTP-bound state and an inactive GDP-bound state, engaging with various effector proteins to modulate cellular responses. RhoQ is pivotal in epithelial cell polarization and may influence CFTR trafficking to the plasma membrane, besides inducing the formation of filopodia, thin actin-rich surface projections.
Therapeutic significance:
Understanding the role of Rho-related GTP-binding protein RhoQ could open doors to potential therapeutic strategies.