Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P61006
UPID:
RAB8A_HUMAN
Alternative names:
Oncogene c-mel
Alternative UPACC:
P61006; B4DEK7; P24407; Q6FHV5
Background:
Ras-related protein Rab-8A, also known as Oncogene c-mel, plays a pivotal role in intracellular membrane trafficking. It regulates the transition between inactive GDP-bound and active GTP-bound forms, facilitating vesicle formation, movement, and fusion. Rab-8A is crucial for polarized vesicular trafficking, neurotransmitter release, and processes such as lumenogenesis, Golgi morphology, epithelial cell polarization, ciliogenesis, and possibly glucose homeostasis.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-8A could open doors to potential therapeutic strategies.