Abstract
Background: The present study was conducted to investigate the antinociceptive activity of methanol extract of Macaranga denticulata (Met.MD) in an animal model, followed by molecular docking analysis. Methods: Antinociceptive activity was determined by acetic acid-induced writhing and formalin-induced licking test in mice. Then, molecular docking study was performed to identify compounds having maximum activity against the COX-1 enzyme using Schrödinger Maestro (version 10.1) to determine docking fitness. Results: A preliminary phytochemical analysis of Met.MD revealed that it contained alkaloids, carbohydrates, phenols, flavonoids, tannins, and terpenoids. Met.MD exhibited a dose-dependent and statistically significant antinociceptive activity in the acetic acid and formalin test at the doses of 200 and 400 mg/kg. In addition, our docking study showed that macarangin had the best fitness score of −5.81 with COX-1 enzyme among six major compounds of M. denticulata. Conclusions: Results of the present study confirmed the potential antinociceptive activity of M. denticulata leaf extract in both in vivo and in silico models.
Highlights
The sample has been deposited in the Department of Pharmacy, International Islamic University Chittagong (IIUC) for future reference
Phytochemical screening of Met.MD revealed the presence of alkaloids, carbohydrates, phenolic compounds, flavonoids, tannins, and terpenoids
No mortality and behavioral change were recorded at the specified doses during the 72 h observation period
Summary
The preliminary phytochemical study revealed that the genus of Macarangais enriched with flavonoids (isoprenylated, geranylated, and farnesylated flavonoids) and stilbenes. Other than flavonoids, it contains terpenes, tannins, and coumarins [2]. Researchers have isolated several phytomolecules from M. denticulata such as 3-acetylaleuritolic acid, oleanolic acid, macarangin, scopoletin, β-sitosterol, and stigmasterol [3,4,5]. The present study was conducted to investigate the antinociceptive activity of methanol extract of Macaranga denticulata (Met.MD) in an animal model, followed by molecular docking analysis. Conclusions: Results of the present study confirmed the potential antinociceptive activity of M. denticulata leaf extract in both in vivo and in silico models
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