Molecular Docking of Apomorphine with Mu-Opioid Receptor: Understanding the Activity of a Novel Psychoactive Substance from Nymphaea caerulea (Blue Water Lily)

Nymphaea caerulea, commonly called the blue water lily, is studied to contain an alkaloid called Apomorphine, which has possible psychoactive activity. This study aims to correlate this activity by computationally studying its interaction at the molecular level. This study employs the use of molecular docking tools to study, analyze, and visualize the interaction of Apomorphine with the mu-opioid receptor in the human body. The binding affinity, various bond formations, and surface characteristics were studied computationally. This is the first study indicating the interaction of Apomorphine with the mu-opioid receptor, and it sheds light on the morphine-like activity of the drug along with the possibility of various toxicological effects.