Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P81534
UPID:
D103A_HUMAN
Alternative names:
Beta-defensin 3; Defensin, beta 103; Defensin-like protein
Alternative UPACC:
P81534; Q8NFG6; Q9NPF6
Background:
Beta-defensin 103, also known as Defensin, beta 103 and Defensin-like protein, plays a crucial role in the innate immune response. Exhibiting potent antimicrobial activity, it targets a broad spectrum of pathogens including Gram-positive bacteria (S. aureus, S. pyogenes), Gram-negative bacteria (P. aeruginosa, E. coli), and the yeast C. albicans. Notably, it is effective against multiresistant S. aureus and vancomycin-resistant E. faecium, while demonstrating minimal hemolytic activity.
Therapeutic significance:
Understanding the role of Beta-defensin 103 could open doors to potential therapeutic strategies. Its broad-spectrum antimicrobial activity positions it as a promising candidate for developing novel antimicrobial agents, especially in an era where antibiotic resistance is a growing concern.