Evaluation of Cell Death Potential of Lepidium sativum Seed Extracts in MCF-7 Cells and Molecular Docking-based Correlation of Identified Bioactive Components with Human Caspase-6 Protein
Rajasekaran R1, Suresh P.K1★★ Corresponding author
- 1Department of Biomedical Sciences, School of Biosciences and Technology, VIT, Vellore, Tamil Nadu, INDIA.
CORRESPONDENCE
Suresh P.K
Department of Biomedical Sciences, School of Biosciences and Technology, VIT, Vellore, Tamil Nadu, INDIA.
Received: 02-06-2021; Revised: 06-09-2021; Accepted: 20-10-2021.
Volume 56, Issue 1 · pp. 166–174 · PUBLISHED 2022 · DOI: 10.5530/ijper.56.1.19
ABSTRACT
Aim and Background:The methanolic extract of Lepidium sativum L. was known for its free radical scavenging potential and anticancer properties. The aim was to perform a comparative investigation of the cytotoxic and cell death potential of the Soxhlet (SOX) and crude methanolic extract (CRU). `Materials and Methods: MTT as well as the PI-based assays in caspase-3-deficient, MCF-7 human breast cancer cells, for its cytotoxic potential and synergistic effect. LC-QTOF-MS/MS was used for characterization. These bioactive molecules were docked with human caspase-6 (2WDP) as well as its zymogen variant (4IYR) to mimicking a more physiological form of cell demise. Results: Both extracts showed a dose-dependent toxicity and the IC50 was found to be 136.75μg/ml, and 88.49 μg/ml compared with that of standard quercetin (8.72μg/ml). At their IC50 concentrations, the corresponding PI-based flow cytometry and cell death values were 31.5±3% and 32.4±5.6, while that of quercetin was 36.9±7.4 %. A synergy in cell death was seen for a combination of L. sativum extracts (CRU-MeOH & SOX-MeOH) and quercetin. Thirteen (13) compounds were reported for the first time in this seed by LC-MS/MS. Good binding affinity was seen with both human caspase -6 (2WDP) and the mutated zymogen (4IYR) with reference to that of quercetin. Conclusion: This in vitro/in silico correlation showed that the methanolic extracts of L. sativum exhibited a significantly higher level of cell death in MCF-7 cells. Also, their synergistic increases in cell death provides a basis possibly for a combination therapy-based strategy.
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R, R., & P.K, S. (2022). Evaluation of Cell Death Potential of Lepidium sativum Seed Extracts in MCF-7 Cells and Molecular Docking-based Correlation of Identified Bioactive Components with Human Caspase-6 Protein. Indian Journal of Pharmaceutical Education and Research, 56(1), 166–174. https://doi.org/10.5530/ijper.56.1.19