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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P19875
UPID:
CXCL2_HUMAN
Alternative names:
Growth-regulated protein beta; Macrophage inflammatory protein 2-alpha
Alternative UPACC:
P19875; Q6FGD6; Q9UPB8
Background:
C-X-C motif chemokine 2, also known as Growth-regulated protein beta and Macrophage inflammatory protein 2-alpha, is a pivotal chemokine produced by activated monocytes and neutrophils. It plays a crucial role in the body's inflammatory response by being expressed at sites of inflammation. Its ability to suppress hematopoietic progenitor cell proliferation in vitro highlights its hematoregulatory function.
Therapeutic significance:
Understanding the role of C-X-C motif chemokine 2 could open doors to potential therapeutic strategies. Its involvement in the regulation of inflammation and hematopoiesis makes it a promising target for developing treatments aimed at inflammatory diseases and disorders affecting blood cell production.