Isolation of phytochemical constituents from Stevia rebaudiana (Bert.) and evaluation of their anticancer, antimicrobial and antioxidant properties via in vitro and in silico approaches

Abstract

The current study was designed to isolate and characterize some bioactive secondary metabolites by using repeated chromatographic and spectroscopic techniques, targeting their anticancer, antimicrobial, and antioxidant properties through in vitro and in silico approaches. Six compounds were isolated and analyzed by thin layer chromatographic technique and the compounds were identified as 5- O -caffeoyl quinic acid ( 1 ), syringin ( 2 ), luteolin ( 3 ), apigenin ( 4 ), jhanol ( 5 ), and jhanidiol ( 6 ) based on spectroscopic methods. The cytotoxic effect of each compound was dose-dependent, and compound 1 showed a higher anti-proliferative effect (IC 50 = 181.3 μg/ml) than other compounds (compound 2 , 4 , 5 , and 6 ). Besides, compound 1 showed the most promising antibacterial activity with a zone of inhibition ranges from 12–15 mm against different strains compared to ciprofloxacin (14–22 mm). In contrast, compound 3 exerted the highest scavenging property against DPPH free radical. Finally, the in vitro bioactivities were also supported by molecular docking studies. The computational study demonstrated that the isolated compounds exerted stronger affinity compared to the standard drugs towards the binding sites of dihydrofolate reductase (DHFR), glutathione reductase, and urase oxidase.

Anti-Cancer Properties of Stevia rebaudiana; More than a Sweetener

“…Similarly, all the isolated compounds exhibited a better affinity to the glutathione reductase compared to the reference agent ascorbic acid. The 5-O-caffeoyl quinic acid showed the highest DHFR and glutathione reductase binding affinity among the compounds tested [60]. This in silico study supported the idea that the high structural stability of these compounds might explain their potent inhibitory effect.…”

“…The anti-cancer and antioxidant properties of other phytochemical ingredients from S. rebaudiana were recently evaluated by in vitro and in silico studies [60]. Specifically, six bioactive secondary metabolites were isolated and identified using spectroscopic methods.…”

Renoprotection of Selected Antioxidant-Rich Foods (Water Spinach and Red Grape) and Probiotics in Gentamicin-Induced Nephrotoxicity and Oxidative Stress in Rats

“…Moreover, boiling water spinach increases the bioavailability of the phenolic compounds that might boost the antioxidant potentiality of the water spinach [25]. Water spinach contains ascorbic acid, gallic acid, chlorogenic acid, myricetin, quercetin, and apigenin which are thought to prevent apoptosis, thus inhibiting oxidative stress [14,45,51]. The current findings of this research are in harmony with the previous reports where the authors reported the improved renal function upon water spinach and red grape or resveratrol ingestion [52,53].…”

Chemical and Pharmacological Profiling of Wrightia coccinea (Roxb. Ex Hornem.) Sims Focusing Antioxidant, Cytotoxic, Antidiarrheal, Hypoglycemic, and Analgesic Properties

“…Molecular docking analysis was performed to interpret the interactive profile of the four isolated compounds from W. coccinea with their target proteins. The widely used popular software packages, including PyRx, PyMoL 2.3, and BIOVA Discovery Studio version 4.5, were utilized during for the in silico study of the isolated compounds from W. coccinea according to the semiflexible procedures described in several studies [36][37][38][39][40][41].…”