In vivo analgesic, anti-inflammatory, and sedative activity and a molecular docking study of dinaphthodiospyrol G isolated fromDiospyros lotus

Background Analgesic, anti-inflammatory, and sedative drugs are available with potential side effects such as peptic ulcer and addiction among other things. In this regard, research is underway to find safe, effective, and economical drugs free of these side effects. In this study, an isolated natural product fromDiospyros lotus, was tested for the aforementioned bioactivities. Objectives To evaluate analgesic, anti-inflammatory, and sedative potential ofD. lotusextracts in animal paradigms using BALB/c mice as experimental model. Methods Analgesic, anti-inflammatory and sedative activities of dinaphthodiospyrol G (1) isolated from the chloroform fraction ofD. lotuswere evaluated using different experimental procedures. Anti-inflammatory effect was evaluated using the carrageenan and histamine-induced paw edema, whereas the antinociceptive effect was quantified by means of the hot plate analgesiometer. On the other hand, the sedative effect was determined using animal assay for screening the locomotors effects of compound1. Compound1was also subjected to molecular modeling studies against cyclooxygenase enzymes. Results Results from this investigation showed that the extract is devoid of anti-inflammatory and antinociceptive potentials but has a significant sedative effect, whereas the tested compound exhibited 55.23 and 78.34% attenuation in paw edema by carrageenan and histamine assays, respectively. A significant (p < 0.001) and dose-dependent antinociceptive and sedative effects were demonstrated by the isolated compound. Molecular docking and dynamics simulation studies of the isolated compound against cyclooxygenase enzyme indicated that compound1forms specific interactions with key residues in the active site of the target receptor, which validates the potential use of the isolated compound as cyclooxygenase inhibitor. Conclusions Compound1exhibited remarkable analgesic, anti-inflammatory, and sedative activities. These findings strongly justify the traditional use ofD. lotusin the treatment of inflammation, pain, and insomnia.