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Open AccessArticle

In Vitro Antidiabetic, Anti-Obesity and Antioxidant Analysis of Ocimum basilicum Aerial Biomass and in Silico Molecular Docking Simulations with Alpha-Amylase and Lipase Enzymes

1
Department of Chemistry, Forman Christian College, Lahore 54600, Pakistan
2
Institute of Biochemistry and Biotechnology, University of the Punjab, Lahore 54000, Pakistan
3
Department of Human Genetics and Molecular Biology, University of Health Sciences, Lahore 54000, Pakistan
4
RAMZ Institute of Sciences, Lahore 54000, Pakistan
5
Department of Pharmaceutical and Pharmacological Sciences, Rega Institute for Medical Research, Medicinal Chemistry, University of Leuven, B-3000 Leuven, Belgium
6
Department of Chemistry, Faculty of Sciences, University Malaya, Kuala Lumpur 59100, Malaysia
*
Author to whom correspondence should be addressed.
Biology 2019, 8(4), 92; https://doi.org/10.3390/biology8040092
Received: 13 October 2019 / Revised: 13 October 2019 / Accepted: 30 October 2019 / Published: 4 December 2019
(This article belongs to the Section Plant Science)
The present study explored phytochemicals, porcine pancreatic α-amylase (PPA) and lipase (PPL) inhibitory activities and antioxidant potential of polar and nonpolar extracts of the leaves and flowers of Ocimum basilicum and the in-silico mode of interaction between these enzymes and the major chemical constituents of the herb. The hexane extract (HE) and hydro-ethanolic extract (EE) obtained sequentially were used to estimate PPA and PPL inhibitory and antioxidant activities, total phenolic content (TPC) and total flavonoid content (TFC). Chemical constituents of the essential oils and HE were determined by GC-MS (Gas Chromatography-Mass Spectrometry). For PPA inhibition, IC50 (µg/mL) of the extracts were 0.27–0.37, which were close to 0.24 of acarbose, while for PPL inhibition, IC50 (µg/mL) of the extracts were 278.40–399.65, and that of Orlistat 145.72. The flowers EE was most potent antioxidant followed by leaves EE. The leaves EE had highest TPC and TFC followed of flowers EE. The essential oil of flowers had higher estragole (55%) than linalool (37%), while the essential oil of the leaves had higher linalool (42%) than estragole (38%). The HE of the flowers contained higher estragole (42%) than linalool (23%), while of the HE of the leaves too had higher estragole (65%) than linalool (18%). The in-silico molecular docking study showed linalool and estragole to have considerable PPA and PPL binding potential, which were further investigated through molecular dynamics simulations and binding free energy calculations. The PPA and PPL inhibitory activities of O. basilicum extracts and their notable antioxidant potential propose the herb as a multi-target complimentary medicine for diabetes, obesity and oxidative stress. View Full-Text
Keywords: Ocimum basilicum; α-amylase inhibitory activity; diabetes; antioxidants; molecular docking Ocimum basilicum; α-amylase inhibitory activity; diabetes; antioxidants; molecular docking
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Noor, Z.I.; Ahmed, D.; Rehman, H.M.; Qamar, M.T.; Froeyen, M.; Ahmad, S.; Mirza, M.U. In Vitro Antidiabetic, Anti-Obesity and Antioxidant Analysis of Ocimum basilicum Aerial Biomass and in Silico Molecular Docking Simulations with Alpha-Amylase and Lipase Enzymes. Biology 2019, 8, 92.

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