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 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 use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P09341
UPID:
GROA_HUMAN
Alternative names:
C-X-C motif chemokine 1; GRO-alpha(1-73); Melanoma growth stimulatory activity; Neutrophil-activating protein 3
Alternative UPACC:
P09341; Q9UCR7
Background:
Growth-regulated alpha protein, also known as C-X-C motif chemokine 1, plays a pivotal role in inflammatory responses. It exhibits chemotactic activity for neutrophils, influencing endothelial cells in an autocrine manner. The protein's processed forms, including GRO-alpha(4-73), GRO-alpha(5-73), and GRO-alpha(6-73), demonstrate significantly enhanced chemotactic activity.
Therapeutic significance:
Understanding the role of Growth-regulated alpha protein could open doors to potential therapeutic strategies.