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

• Published in: Molecules (Basel, Switzerland) Vol. 26; no. 3; p. 768
• Main Authors: Adnan, Mohd, Siddiqui, Arif Jamal, Hamadou, Walid Sabri, Patel, Mitesh, Ashraf, Syed Amir, Jamal, Arshad, Awadelkareem, Amir Mahgoub, Sachidanandan, Manojkumar, Snoussi, Mejdi, De Feo, Vincenzo
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 02.02.2021; MDPI
• Subjects: Anti-Bacterial Agents - chemistry; Anti-Bacterial Agents - pharmacokinetics; Anti-Bacterial Agents - pharmacology; Anti-Bacterial Agents - toxicity; Antibacterial activity; Antimicrobial agents; Antineoplastic Agents - chemistry; Antineoplastic Agents - pharmacokinetics; Antineoplastic Agents - pharmacology; Antineoplastic Agents - toxicity; Antioxidants; Antioxidants - chemistry; Antioxidants - pharmacokinetics; Antioxidants - pharmacology; Antioxidants - toxicity; Antitumor activity; Bacteria; Bioactive compounds; Biocompatibility; Biological activity; Biomolecules; Breast; Breast cancer; Breast Neoplasms - pathology; Cancer therapies; Cell Line, Tumor; Colon; colon cancer; Colorectal cancer; Colorectal carcinoma; Colorectal Neoplasms - pathology; Drug discovery; Drugs; E coli; Ethnomedicine; Flavonoids; Free radicals; Gram-positive bacteria; Herbal medicine; Humans; Hydrogen peroxide; In vivo methods and tests; Industrialized nations; Lipid peroxidation; Lipids; Liquid chromatography; Lung cancer; Lung carcinoma; Lung Neoplasms - pathology; Lungs; Mass spectrometry; Mass spectroscopy; natural product; Pathogens; Pharmacokinetics; Pharmacology; Phenols; Phytochemicals; phytochemistry; Plant Extracts - chemistry; Plant Extracts - pharmacokinetics; Plant Extracts - pharmacology; Plant Extracts - toxicity; Selaginella repanda; Selaginellaceae - chemistry; Toxicity; Tumor cell lines; lung cancer; colon cancer; natural product; Selaginella repanda; pharmacokinetics; breast cancer; phytomedicine; ADMET; phytochemistry
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules26030768

In this study, we investigated the bioactive potential (antibacterial and antioxidant), anticancer activity and detailed phytochemical analysis of 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. , which is a rich source of potent natural bioactive compounds, showed promising antibacterial activity against the tested pathogenic bacteria ( , , and ). The crude extract displayed favorable antioxidant activity against both 2,2-diphenyl-1-picrylhydrazyl (DPPH) (IC = 231.6 μg/mL) and H O (IC = 288.3 μg/mL) molecules. 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) (IC = 341.1 μg/mL), followed by colon (HCT-116) (IC = 378.8 μg/mL) and breast (MCF-7) (IC = 428.3 μg/mL) cancer cells. High resolution-liquid chromatography-mass spectrometry (HR-LC-MS) data of 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 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 with no toxicity risks. Finally, further in vivo experimental investigations can be promoted as probable candidates for various therapeutic functions, drug discovery and development.