Phytochemistry, Bioactivities, Pharmacokinetics and Toxicity Prediction of Selaginella repanda with Its Anticancer Potential against Human Lung, Breast and Colorectal Carcinoma Cell Lines

Abstract

In this study, we investigated the bioactive potential (antibacterial and antioxidant), anticancer activity and detailed phytochemical analysis of Selaginellarepanda (S. repanda) ethanolic crude extract for the very first time using different in vitro approaches. Furthermore, computer-aided prediction of pharmacokinetic properties and safety profile of the identified phytoconstituents were also employed in order to provide some useful insights for drug discovery. S. repanda, which is a rich source of potent natural bioactive compounds, showed promising antibacterial activity against the tested pathogenic bacteria (S. aureus, P. aeruginosa, E. coli and S. flexneri). The crude extract displayed favorable antioxidant activity against both 2,2-diphenyl-1-picrylhydrazyl (DPPH) (IC50 = 231.6 μg/mL) and H2O2 (IC50 = 288.3 μg/mL) molecules. S. repanda also showed favorable and effective anticancer activity against all three malignant cancer cells in a dose/time dependent manner. Higher activity was found against lung (A549) (IC50 = 341.1 μg/mL), followed by colon (HCT-116) (IC50 = 378.8 μg/mL) and breast (MCF-7) (IC50 = 428.3 μg/mL) cancer cells. High resolution-liquid chromatography–mass spectrometry (HR-LC–MS) data of S. repanda crude extract revealed the presence of diverse bioactive/chemical components, including fatty acids, alcohol, sugar, flavonoids, alkaloids, terpenoids, coumarins and phenolics, which can be the basis and major cause for its bioactive potential. Therefore, achieved results from this study confirmed the efficacy of S. repanda and a prospective source of naturally active biomolecules with antibacterial, antioxidant and anticancer potential. These phytocompounds alone with their favorable pharmacokinetics profile suggests good lead and efficiency of S. repanda with no toxicity risks. Finally, further in vivo experimental investigations can be promoted as probable candidates for various therapeutic functions, drug discovery and development.

Deciphering the Molecular Mechanism Responsible for Efficiently Inhibiting Metastasis of Human Non-Small Cell Lung and Colorectal Cancer Cells Targeting the Matrix Metalloproteinases by Selaginella repanda

“…Overall, LC-MS analysis endorsed the rich nature of the S. repanda plant in terms of varying chemical classes of compounds present in it, whereby the majority of all the identified compounds are flavonoids and phenolics in nature as previously described [ 9 , 20 , 21 ]. Flavonoids and natural phenolic acids are one of the most prevalent and pharmacologically active groups of plant secondary metabolites.…”

“…Identified potent flavonoid compounds were glycitin, vitexin, rhamnetin, kaempferol, luteolin, rutin, diosmetin, apigenin H, genistein. Identified potent terpenoids, alkaloids, benzenoids, monocarboxylic acid and ester compounds were urocanic acid, guvacoline, hordenine, sedanolide, scopoletin, norharman, citral, methylcinnamate, 8-hydroxyquinoline, pulegone and 4-hydroxyphenylacetic acid [ 9 ].…”

“…Therefore, the pursuit and curiosity in the identification of medicinal plants and their derived natural products for evolving the novel cancer therapeutic strategies expanded vastly in recent times. In our previous study [ 9 ], a comprehensive phytochemical analysis from the crude extract of S. repanda was carried out via HR-LC-MS. A chromatogram was obtained with both positive and negative run and different types of phytochemicals were identified. In-depth profiling revealed various classes of metabolites such as alkaloids, flavonoids, sugars, vitamins, amino acids, phenols, terpenoids, phenols, etc.…”

“…Identified potent terpenoids, alkaloids, benzenoids, monocarboxylic acid and ester compounds were urocanic acid, guvacoline, hordenine, sedanolide, scopoletin, norharman, citral, methylcinnamate, 8-hydroxyquinoline, pulegone and 4-hydroxyphenylacetic acid [9]. Overall, LC-MS analysis endorsed the rich nature of the S. repanda plant in terms of varying chemical classes of compounds present in it, whereby the majority of all the identified compounds are flavonoids and phenolics in nature as previously described [9,20,21]. Flavonoids and natural phenolic acids are one of the most prevalent and pharmacologically active groups of plant secondary metabolites.…”

“…The Selaginella plants are usually used by a tribal community to cure sore throat, hepatic disorders, fever, cirrhosis, jaundice, cholecystitis, cough of lungs, diarrhea and various other related ailments. Moreover, it is also used for promoting the blood circulation, removing blood stasis, prevention of external bleeding after separation of the umbilical cord and trauma [ 8 , 9 ]. This is due to the presence of high content of different phytochemicals including, carbohydrates, chromones, benzenoids, alkaloids, coumarins, lignans, flavonoids, phenylpropanoids, steroids, pigments and quinoids [ 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 ].…”