Rajan Thinagaran (2022) In silico Screening and Identification of Active Compounds Characterized From Fruit Peel of Psidium guajava against Estrogen Receptor of Breast Cancer. In silico Screening and Identification of Active Compounds Characterized From Fruit Peel of Psidium guajava against Estrogen Receptor of Breast Cancer, 13 (75). pp. 49973-49984. ISSN 0976 – 0997

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Abstract

Breast cancer is one of the most significantly identified cancers in women. The existing anti-cancer
antibiotics are known to produce side effects. The active phytochemicals could be used as potential
therapeutic agents for breast cancer that could resolve the defects of existing antibiotics. The fruit extract
of Guava (Psidium guajava) is a prominent source of bioactive phytochemicals used to treat and manage
various diseases. Based on this, our research focused on identifying a bioactive compound in fruit peel
extract of Psidium guajava, which acts as an antagonist to the receptor and inhibit the synthesis of
estrogen. The fruit peel extract of Psidium guajava was prepared and characterized with GC-MS. The
pharmacokinetic properties of the obtained bioactive compounds are evaluated using SWISS-Adme tool.
Additionally, molecular docking was done to determine the potential usage of the phytochemical
compound of fruit peel extract of Psidium guajava targeting, estrogen receptor alpha in breast cancer
treatment. The network pharmacology was performed to determine the mode of action of estrogen
receptor alpha towards breast cancer. The in vitro anticancer activity of the fruit peel was assessed in
MTT assay. Totally seven bioactive compounds were identified in fruit peel of Psidium guajava. It was
observed that all bioactive compounds pass the rule of five and have good pharmacokinetic properties.
The docking analysis revealed that lauren diterpenol exhibited prominent and stable interaction with the
target. About 53 interactive genes were identified in network pharmacological studies. The anticancer
activity revealed that Psidium guajava exhibit 46.52% of cell death at 75 µg/ml concentration against MCF�7 cells. Based on the results obtained, lauren diterpenol has a significant binding relationship ancould work as an estrogen inhibitor. Hence, the fruit peel extract of Psidium guajava was found as
apotential candidate for breast cancer treatment

Item Type: Article
Uncontrolled Keywords: Breast cancer, Estrogen receptor, Psidium guajava, Lauren diterpenol, Doxorubicin
Divisions: PSG College of Arts and Science > Department of Biochemistry
Depositing User: Dr. B Sivakumar
Date Deposited: 27 Mar 2026 08:03
Last Modified: 27 Mar 2026 08:50
URI: https://ir.psgcas.ac.in/id/eprint/2749

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