Focused On-demand Library for Platelet basic protein

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

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 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P02775

UPID:

CXCL7_HUMAN

Alternative names:

C-X-C motif chemokine 7; Leukocyte-derived growth factor; Macrophage-derived growth factor; Small-inducible cytokine B7

Alternative UPACC:

P02775; B2R5F3; Q6IBJ8

Background:

Platelet basic protein, also known as C-X-C motif chemokine 7, plays a pivotal role in various biological processes. It is involved in DNA synthesis, mitosis, glycolysis, and the secretion of several substances including prostaglandin E2 and plasminogen activator. Its ability to act as a chemoattractant and activator for neutrophils through its forms such as NAP-2 highlights its significance in immune responses. Additionally, its derivatives, TC-1 and TC-2, exhibit antibacterial properties, showcasing its multifunctionality in host defense mechanisms.

Therapeutic significance:

Understanding the role of Platelet basic protein could open doors to potential therapeutic strategies. Its involvement in critical cellular processes and immune responses positions it as a key target for drug discovery efforts aimed at treating inflammatory conditions and infections.