Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation

Abstract The spreading of COVID-19 has posed a risk to global health, especially for lung cancer patients. An investigation is needed to overcome the challenges of COVID-19 pathophysiology and lung cancer disease. This study was designed to evaluate the phytoconstituents in Punica granatum peel (PGP...

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Main Authors: Md. Abul Barkat, Afreen Fatima, Bushra Riaz, Mohd. Zaheen Hassan, Tanveer Ahamad, Abdulkareem A. Alanezi, Harshita Barkat, Afaf F. Almuqati, Yahya I. Asiri, Sahabjada Siddiqui
Format: Article
Language:English
Published: BMC 2025-01-01
Series:BMC Complementary Medicine and Therapies
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Online Access:https://doi.org/10.1186/s12906-024-04738-1
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author Md. Abul Barkat
Afreen Fatima
Bushra Riaz
Mohd. Zaheen Hassan
Tanveer Ahamad
Abdulkareem A. Alanezi
Harshita Barkat
Afaf F. Almuqati
Yahya I. Asiri
Sahabjada Siddiqui
author_facet Md. Abul Barkat
Afreen Fatima
Bushra Riaz
Mohd. Zaheen Hassan
Tanveer Ahamad
Abdulkareem A. Alanezi
Harshita Barkat
Afaf F. Almuqati
Yahya I. Asiri
Sahabjada Siddiqui
author_sort Md. Abul Barkat
collection DOAJ
description Abstract The spreading of COVID-19 has posed a risk to global health, especially for lung cancer patients. An investigation is needed to overcome the challenges of COVID-19 pathophysiology and lung cancer disease. This study was designed to evaluate the phytoconstituents in Punica granatum peel (PGP), its anti-lung cancer activity, and in silico evaluation for antiviral potential. GC–MS technique was used to detect the phytoconstituents. Cytotoxicity was analyzed using MTT dye, followed by apoptosis, ROS generation, and cell cycle phase detection in human lung cancer cells (A549). The glide module of Maestro software was used to investigate the molecular-docking interaction of the constituents against main protease (Mpro) and papain-like protease (PLpro) of SARS-CoV-2. GROMACS 2023.2 was utilized to evaluate the complex stability. A total of nineteen phytocomponents were detected in the PGP extract through GC–MS analysis. PGP has shown a potential to reduce lung cancer cell proliferation while evading normal cell death. PGP induced apoptosis by arresting cells in the G0/G1 phase and generating ROS. A total of six and eight phytocomponents had a high affinity for PLpro and Mpro proteins, respectively. The top docked complex, ethyl 5-oxo-2-pyrrolidinecarboxylate, with PLpro and Mpro proteins, showed likely stable interaction throughout 100 ns simulation. This finding raises the possibility of top-eight hits (docking score ≥ -1.0 kcal/mol) preventing SARS-CoV-2 severity. The phytoconstituents exhibited orally active drugs with no more than one violation and drug-likeness activity. The PGP phytoconstituents are suggested to be dual agents for lung cancer and SARS-CoV-2 pathogenesis. Graphical Abstract
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publisher BMC
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spelling doaj-art-48dd26f93dc544828ba3730745e7cfb82025-02-02T12:08:30ZengBMCBMC Complementary Medicine and Therapies2662-76712025-01-0125111910.1186/s12906-024-04738-1Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagationMd. Abul Barkat0Afreen Fatima1Bushra Riaz2Mohd. Zaheen Hassan3Tanveer Ahamad4Abdulkareem A. Alanezi5Harshita Barkat6Afaf F. Almuqati7Yahya I. Asiri8Sahabjada Siddiqui9Department of Pharmaceutics, College of Pharmacy, University of Hafr Al-BatinDepartment of Pharmacy Practice, College of Pharmacy, University of Hafr Al BatinDepartment of Pharmacy Practice, College of Pharmacy, University of Hafr Al BatinDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Khalid UniversityDepartment of Biotechnology, Era’s Lucknow Medical College and Hospital, Era UniversityDepartment of Pharmaceutics, College of Pharmacy, University of Hafr Al-BatinDepartment of Pharmaceutics, College of Pharmacy, University of Hafr Al-BatinDepartment of Pharmaceutical Chemistry, College of Pharmacy, University of Hafr Al-BatinDepartment of Pharmacology, College of Pharmacy, King Khalid UniversityDepartment of Biotechnology, Era’s Lucknow Medical College and Hospital, Era UniversityAbstract The spreading of COVID-19 has posed a risk to global health, especially for lung cancer patients. An investigation is needed to overcome the challenges of COVID-19 pathophysiology and lung cancer disease. This study was designed to evaluate the phytoconstituents in Punica granatum peel (PGP), its anti-lung cancer activity, and in silico evaluation for antiviral potential. GC–MS technique was used to detect the phytoconstituents. Cytotoxicity was analyzed using MTT dye, followed by apoptosis, ROS generation, and cell cycle phase detection in human lung cancer cells (A549). The glide module of Maestro software was used to investigate the molecular-docking interaction of the constituents against main protease (Mpro) and papain-like protease (PLpro) of SARS-CoV-2. GROMACS 2023.2 was utilized to evaluate the complex stability. A total of nineteen phytocomponents were detected in the PGP extract through GC–MS analysis. PGP has shown a potential to reduce lung cancer cell proliferation while evading normal cell death. PGP induced apoptosis by arresting cells in the G0/G1 phase and generating ROS. A total of six and eight phytocomponents had a high affinity for PLpro and Mpro proteins, respectively. The top docked complex, ethyl 5-oxo-2-pyrrolidinecarboxylate, with PLpro and Mpro proteins, showed likely stable interaction throughout 100 ns simulation. This finding raises the possibility of top-eight hits (docking score ≥ -1.0 kcal/mol) preventing SARS-CoV-2 severity. The phytoconstituents exhibited orally active drugs with no more than one violation and drug-likeness activity. The PGP phytoconstituents are suggested to be dual agents for lung cancer and SARS-CoV-2 pathogenesis. Graphical Abstracthttps://doi.org/10.1186/s12906-024-04738-1Phytochemical analysisCOVID-19Lung cancerPunica granatum peelMolecular docking
spellingShingle Md. Abul Barkat
Afreen Fatima
Bushra Riaz
Mohd. Zaheen Hassan
Tanveer Ahamad
Abdulkareem A. Alanezi
Harshita Barkat
Afaf F. Almuqati
Yahya I. Asiri
Sahabjada Siddiqui
Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation
BMC Complementary Medicine and Therapies
Phytochemical analysis
COVID-19
Lung cancer
Punica granatum peel
Molecular docking
title Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation
title_full Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation
title_fullStr Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation
title_full_unstemmed Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation
title_short Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation
title_sort bidirectional approach of punica granatum natural compounds reduction in lung cancer and sars cov 2 propagation
topic Phytochemical analysis
COVID-19
Lung cancer
Punica granatum peel
Molecular docking
url https://doi.org/10.1186/s12906-024-04738-1
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