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 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 strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P60022
UPID:
DEFB1_HUMAN
Alternative names:
Defensin, beta 1
Alternative UPACC:
P60022; Q09753
Background:
Beta-defensin 1, alternatively known as Defensin, beta 1, plays a crucial role in the immune system with its bactericidal activity. It acts as a ligand for C-C chemokine receptor CCR6, enhancing sperm motility and bactericidal function in a CCR6-dependent manner. Its ability to bind to CCR6 and trigger Ca2+ mobilization is vital for sperm motility.
Therapeutic significance:
Understanding the role of Beta-defensin 1 could open doors to potential therapeutic strategies.