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 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q8WTQ1
UPID:
D104A_HUMAN
Alternative names:
Beta-defensin 4; Defensin, beta 104
Alternative UPACC:
Q8WTQ1; Q496I2; Q496I3; Q496I4
Background:
Beta-defensin 104, also known as Beta-defensin 4 and Defensin, beta 104, plays a crucial role in the innate immune response. Its antimicrobial activity, particularly when acting synergistically with lysozyme and DEFB103, underscores its importance in defending the host against a broad spectrum of pathogens.
Therapeutic significance:
Understanding the role of Beta-defensin 104 could open doors to potential therapeutic strategies. Its inherent antimicrobial properties make it a promising candidate for developing novel treatments aimed at enhancing the body's natural defenses against infections.