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Current Enzyme Inhibition

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ISSN (Print): 1573-4080
ISSN (Online): 1875-6662

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Research Article

Identification and Validation of Hydroxychavicol from Betel Leaf as a Promising Breast Cancer Inhibitor: An In vitro and In silico Analysis

Author(s): P. Sangavi, K. Langeswaran* and R. Sangeetha

Volume 18, Issue 2, 2022

Published on: 12 May, 2022

Page: [127 - 134] Pages: 8

DOI: 10.2174/1573408018666220210141311

Price: $65

Abstract

Aims: This study aimed at identifying promising breast cancer inhibitors through in vitro and in silico studies.

Background: Piper betel. L. is a traditional herb used for varied ailments.

Objective: The present study is designed to evaluate the anti-carcinogenic potency of HC against the MCF-7 cell line by in vitro analysis. Further in silico examination was performed to detect and formulate protein-ligand complex of HC using molecular docking technique.

Methods: In vitro study was conducted using MTT assay and microscopic examinations to determine the cell viability and morphological changes in MCF-7 cells. In silico, scrutiny was performed using virtual screening, Docking, ADME, DFT analysis, MMGBSA, and molecular dynamic simulation to evaluate hydroxychavicol stability.

Results: HC showed an outstanding anti-cancer potential, with dose- and time-dependent patterns in MTT assay and through the fluctuating organization of MCF-7 cells. In silico analysis showed that the selected lead compound-complex exhibited good stability and was a highly potent inhibitor against the target breast cancer protein.

Conclusion: This study confirmed that HC might be an alternate potential inhibitor against breast cancer.

Keywords: Breast cancer, hydroxychavicol, betel leaf, inhibitor, molecular simulation, docking studies, MCF-7 cell line.

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