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 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.
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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P49913
UPID:
CAMP_HUMAN
Alternative names:
18 kDa cationic antimicrobial protein
Alternative UPACC:
P49913; Q71SN9
Background:
Cathelicidin antimicrobial peptide, also known as the 18 kDa cationic antimicrobial protein, plays a crucial role in the innate immune system. It binds to bacterial lipopolysaccharides, enhancing the release of CXCL2 and generating multiple antimicrobial peptides. These peptides act as a defense on the skin and inhibit the growth of various bacteria, including Gram-negative and Gram-positive strains, by permeabilizing their membranes.
Therapeutic significance:
Understanding the role of Cathelicidin antimicrobial peptide could open doors to potential therapeutic strategies. Its ability to disrupt bacterial membranes and inhibit growth offers a promising avenue for developing new antimicrobial agents, especially against resistant strains.