In silico Anticancer Activity and in vitro Antioxidant of Flavonoids in Plectranthus amboinicus

Abstract

Background: Plectranthus amboinicus (Lour.) Spreng is a plant that has a high flavonoid content. The leaves of Plectranthus amboinicus (Lour.) Spreng contain many flavonoids Chrysoeriol, Cirsimaritin, Eriodictyol, Luteolin, Rutin, Salvigenin, Thymoquinone, Quercetin, Apigenin, and 5-O-Methyl-Luteolin. Objectives: To determine the antioxidant activity and anticancer activity of flavonoid compounds contained in Plectranthus amboinicus (Lour.) Spreng. Methods: Anticancer activity testing was carried out by in silico against several cancer receptors and antioxidant activity testing was carried out by in vitro using the 1,1-Diphenyl-2-Picryhydrazil method. The results showed that the flavonoid compounds contained in Plectranthus amboinicus (Lour.) Spreng have similar anticancer activity to the reference molecule at the P-Glycoprotein-1, Cyclin Dependent Kinase-2, and Phosphoinositide-3-Kinase receptors, as well as better anticancer activity than the reference molecule for the Cyclooxygenase-2 and Phosphoenolpyruvate Carboxykinase receptors. Results: The antioxidant activity of the extract gave an Inhibitory Concentration 50% value of 9.77 µg/mL, the flavonoid compounds contained in Plectranthus amboinicus (Lour.) Spreng gave an Inhibitory Concentration 50% value that lower than the extract, which ranged from 6.92 µg/mL to 8.50 µg/mL. Flavonoids in Plectranthus amboinicus (Lour.) Spreng anticancer activity by in silico molecular docking and antioxidant activity by in vitro 1,1-Diphenyl-2-Picryhydrazil method. Conclusions: All the flavonoid compounds contained in the ethanolic extract of Plectranthus amboinicus (Lour.) Spreng leaves exhibit very strong anti-cancer and antioxidant activity, which results in ethanolic extract of Plectranthus amboinicus (Lour.) Spreng leaves have very strong antioxidant activity.

Health Benefits and Pharmacological Aspects of Chrysoeriol

“…On the other hand, the leaf extract showed beneficial effects against Caco-2 colon cancer cells (IC 50 = 239.7 ± 43.2 µg/mL), which inhibited cell growth in a concentration-dependent manner. In the same context, the objective of the study carried out by Manurung et al [14] was to determine the anticancer effects of flavonoid agents isolated from Plectranthus amboinicus (Lour.) Spreng by using in silico molecular docking against several cancer receptors.…”

“…Indeed, this molecule has exhibited significant anticancer activity against different tumor cell lines, including cervical cancer [5,10], human lung Pharmaceuticals 2022, 15, 973 2 of 26 cancer [10,11], and colon cancer cell lines [5,12]. In addition, the anticancer effect of chrysoeriol has been reported in vivo [11,13] and through in silico molecular docking against several cancer receptors [14]. On the other hand, chrysoeriol has showed an anti-inflammatory effect in several in vitro studies [15][16][17][18][19][20].…”

Stevia Genus: Phytochemistry and Biological Activities Update

“…This compound was shown to inhibit the virus replication by downregulating the NF-κB signal transduction pathway. Manurung et al [ 155 ] reported that this compound exhibited very strong anticancer and antioxidant activity. Pathak et al [ 156 ] investigated the anticancer potential of cirsimaritin in organ specific cell lines by using MTT assay.…”

ADMET Prediction and In silico Analysis of Mangostin Derivatives and Sinensetin on Maltase-Glucoamylase Target for Searching Anti-Diabetes Drug Candidates

“…The results of the identification of the active site of the macromolecule were carried out on the ProteinPlus online tool by entering the macromolecule format .pdb and the best results were obtained with the highest drug score of 0.73 and RMSD 0.708 Å the pocket molecule was valid because the deviation obtained was less than 2 Å. 5 The next docking process is to prepare ligands that will be used for the docking process, namely mangostin-derived ligands (α, β, γ-mangostin) and sinensetin ligands. In this study, miglitol is used for ligand positive control.…”

“…[1][2][3] Human Maltase-glucoamylase (MGA) is one type of alpha-glucosidase digestive enzyme in the human small intestine that works along with alpha-amylase and sucrose-isomaltase to digest carbohydrate and break it into glucose. [4][5][6][7][8][9][10] Thus enzyme that works together with sucrose-isomaltase to catalyze the final stages of starch digestion through hydrolyzing mixtures of dextrins at the non-reducting end into glucose with net retention of anomeric configuration. By inhibiting this enzyme, it is hoped that the starch digestive pathway can delay the production of glucose in type-II diabetes.…”