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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q92730
UPID:
RND1_HUMAN
Alternative names:
Rho family GTPase 1; Rnd1
Alternative UPACC:
Q92730; A8K9P7
Background:
Rho-related GTP-binding protein Rho6, also known as Rho family GTPase 1 or Rnd1, plays a pivotal role in the regulation of the actin cytoskeleton. It is characterized by its inability to hydrolyze GTP, its low affinity for GDP, and its constitutive GTP binding. This protein is instrumental in controlling actin cytoskeleton rearrangements and induces Rac-dependent neuritic process formation by disrupting cortical actin filaments.
Therapeutic significance:
Understanding the role of Rho-related GTP-binding protein Rho6 could open doors to potential therapeutic strategies. Its involvement in actin cytoskeleton rearrangements and neuritic process formation positions it as a key target for research in neurodegenerative diseases and cancer metastasis.