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. 2025 Jul 23;15(1):26689.
doi: 10.1038/s41598-025-03596-2.

Phytochemical profiling, biological potential and In Silico identification of anticancerous compound from Pakistani pomegranate Peel

Sayed Maeen Badshah  1   2 , Nighat Sultana  3 , Mahmood Basil A Al-Rawi  4 , Zarkish Tariq  5 , Kuen-Song Lin  6 , Abrar Hussain  2 , Wajid Syed  7 , Dildar Ahmed  8 , Jamshid Hussain  2 , Bushra Khan  9 , Faiz Ur Rehman  10
Affiliations

Phytochemical profiling, biological potential and In Silico identification of anticancerous compound from Pakistani pomegranate Peel

Sayed Maeen Badshah et al. Sci Rep. .

Abstract

The increasing antimicrobial resistance and recurrence is a major public health concern leading to high rates of morbidity and mortality worldwide. Furthermore, free radicals induced damage led to oxidative diseases such as cancer and diabetes.Therefore, finding safe and effective antimicrobial and antioxidant agents is vital. Pomegranate peel, constituting 60% of the total fruit's weight, is largely disposed despite its known benefits in traditional medicine. The current study aimed to determine the chemical constituents and biological activities of the methanolic extracts of peels of three pomegranate varieties [wild (PPE-1), white (PPE-2), and red (PPE-3)]. Phytochemicals analysis were performed using UV-vis spectrophotometry, gas chromatography-mass spectroscopy (GC-MS), and high-performance liquid chromatography (HPLC). The antioxidant potentials were determined via 2,2-diphenyl-1-picrylhydrazyl scavenging and phosphomolybdate (ABTS) assay and In Vitro antidiabetic activity was assessed by α-amylase inhibition assay. The antibacterial activity was assesed against three most dominant pathogens including E. coli, Staphylococcus aureus and Staphylococcus epidermidis by disc diffusion. The total phenolics, flavonoid, and tannin contents were highest in PPE-1 followed by PPE-2 and PPE-3. Among the polyphenol, chlorogenic acid was found in substantial concentration in all extracts. The GC-MS analysis identified 13 distinct compounds with the notable presence of 5-(hydroxymethyl) furan-2-carbaldehyde. All varieties exhibited significant antioxidants, antibacterial and antidiabetics, but the PPE-1 showed the highest activities. Docking studies revealed that chlorogenic acid was a strong inhibitor of Cyclooxygenase-II (COX-II) indicating anti-inflammatory and anticancerous potential. The study revealed that pomegranate peels have promising biological potentials such as antioxidants, antidiabetic, and antimicrobial, suggesting their role in drug developments.

Keywords: Antimicrobial; Antioxidant; Phytochemicals; antidiabetic.

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Conflict of interest statement

Declarations. Ethics approval and consent to participate: Not Applicable. Consent for publication: Not Applicable. Competing interests: The authors declare no competing interests. Permission to collect pomegranate: All research activities conducted in this study, including the collection of pomegranates (Punica granatum) samples, complied with relevant institutional, national, and international guidelines and legislation. Prior written permissions/licenses were obtained from the appropriate authorities, private property owners to collect plant material. The study was approved from the Department of Biochemistry, Hazara University, Mansehra, Kp, Pakistan. Some of the analysis are conducted in collaboration of Department of Chemical Engineering and Materials Science/Environmental Technology Research Center, Yuan Ze University, Chung-Li District, Taoyuan City 32003, Taiwan.

Figures

Fig. 1
Fig. 1
TPC, TFC, and TCTC content of pomegranate peel’s extracts; PPE-1 (Wild), PPE-2 (Red), and PPE-3 (White) Each value is the statistical mean of three biological replicates (n = 3; mean ± standard deviation).
Fig. 2
Fig. 2
Antioxidant activity and IC50 values of methanolic peels extracts of three pomegranate varieties; PPE-1 (Wild), PPE-2 (Red), and PPE-3 (White).. Each value is the statistical mean of three biological replicates.
Fig. 3
Fig. 3
Total antioxidant capacity (TAC) of methanolic peels extracts ofthree pomegranate varieties; PPE-1 (Wild), PPE-2 (Red), and PPE-3 (White). Each value is the statistical mean of three biological replicates.
Fig. 4
Fig. 4
Inhibition of α-amylase by methanolic peels extracts of three pomegranate varieties; PPE-1 (Wild), PPE-2 (Red), and PPE-3 (White) Each value is the statistical mean of three biological replicates.
Fig. 5
Fig. 5
Antibacterial potentials of methanolic peels extracts of of three pomegranate varieties; PPE-1 (Wild), PPE-2 (Red), and PPE-3 (White). Each value is the statistical mean of three biological replicates.
Fig. 6
Fig. 6
(a) 3D interaction diagram representing the ligand chlorogenic acid, (b) 3D inter-action diagram for chlorogenic acid and COX-II.
Fig. 7
Fig. 7
(a) 3D interaction diagram representing the ligand furan, (b) 3D interaction diagram for furan and COX-II.
See this image and copyright information in PMC

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