LC-MS profiling and cytotoxic activity of Angiopteris helferiana against HepG2 cell line: Molecular insight to investigate anticancer agent.

Autor:	Pandey B; Department of Pharmacy, Madan Bhandari Academy of Health Sciences, Hetauda, Nepal., Thapa S; Department of Pharmacy, Madan Bhandari Academy of Health Sciences, Hetauda, Nepal., Biradar MS; Department of Pharmaceutical Chemistry, Al-Ameen College of Pharmacy, Bengaluru, India., Singh B; Institute of Pharmaceutical Research, GLA University, Chaumuhan, U.P., India., Ghale JB; Karnali College of Health Science, Purbanchal University, Nepal., Kharel P; National Academy for Medical Science, Purbanchal University, Nepal., Jha PK; School of Health and Allied Science, Pokhara University, Pokhara, Nepal., Yadav RK; School of Health and Allied Science, Pokhara University, Pokhara, Nepal., Dawadi S; Asian College for Advance Studies, Purbanchal University, Lalitpur, Nepal., V P; Department of Pharmacology, KLE College of Pharmacy KAHER, A Constituent Unit of KAHER-Belagavi University, Rajajinagar, Bengaluru, Karnataka, India.
Jazyk:	angličtina
Zdroj:	PloS one [PLoS One] 2024 Dec 31; Vol. 19 (12), pp. e0309797. Date of Electronic Publication: 2024 Dec 31 (Print Publication: 2024).
DOI:	10.1371/journal.pone.0309797
Abstrakt:	Liver cancer is one of the most prevalent malignant diseases in humans and the second leading cause of cancer-related mortality globally. Angiopteris helferiana was mentioned as a possible anticancer herb according to ethnomedicinal applications. However, the molecular docking and chemical profiling of the bioactive phytoconstituents accountable for the reported anticancer action still require research. The present study aims the phytochemical profiling and bioactivity evaluation of A. helferiana. The study design with in-vitro and in-silico technique of the LC-MS followed by a study of the ligand-protein interaction using the molecular docking method, and investigates the cytotoxic activity by MTT assay of A. helferiana bioactive compounds on HepG2 cell lines. LC-MS results detected seventeen phytoconstituents in A. helferiana extract belonging to variable chemical classes with most prevailing compounds such as Vicenin 1, Schafroside, Violanthin, Coumarin, Quercetin, Angiopterioside, and Corosolic acid. The finding concluded that Quercetin showed significant binding energy of -8.8 kcal/mol and then Schafroside also possesses the binding energy of -8.1 kcal/mol against the human PPAR-δ receptor (PDBID: 1I7G). The extract showed the moderate cytotoxic activity having IC50 value of 236.93 μg/mL. Our finding suggests that these bioactive compounds could be developed as promising anticancer agent, but further in-vivo study require to validate the finding along with isolation of individual phytoconstituents. Competing Interests: The authors have declared that no competing interests exist. (Copyright: © 2024 Pandey et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.)
Databáze:	MEDLINE
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