Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents
Mycobacterium tuberculosis is the causative agent of tuberculosis (TB) globally. Despite significant progress in biomedical research, novel treatment strategies, and preventative measures, the incidence rates of TB continue to rise. Peucedanum ostruthium, often called masterwort, is a flowering plan...
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Elsevier
2025-03-01
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| Series: | Health Sciences Review |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S277263202500011X |
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| author | Neeru Bhanwala Raunak Katiyar Sumit Kumar Ashok K. Datusalia Gopal L. Khatik |
| author_facet | Neeru Bhanwala Raunak Katiyar Sumit Kumar Ashok K. Datusalia Gopal L. Khatik |
| author_sort | Neeru Bhanwala |
| collection | DOAJ |
| description | Mycobacterium tuberculosis is the causative agent of tuberculosis (TB) globally. Despite significant progress in biomedical research, novel treatment strategies, and preventative measures, the incidence rates of TB continue to rise. Peucedanum ostruthium, often called masterwort, is a flowering plant from the Apiaceae family used to treat various ailments. However, the specific biochemical mechanism behind its therapeutic effect remains unidentified. The phytoconstituents of P. ostruthium were studied using Swiss Target Prediction to determine the target genes. The DisGeNET datasets were used to extract genes and variations associated with TB. Gene-gene interactions were examined using the STRING database, while gene enrichment analysis was done using the SR Plot database. P. ostruthium identified nine active constituents that have 256 potential therapeutic targets. In addition, the docking studies demonstrated that kampeferol-3-O-rutinoside exhibits stronger binding affinities to the Mycobacterial membrane protein Large 3 (MmpL3). This study presents compelling evidence that P. ostruthium may be effectively used to target TB after experimental validation. Additionally, it establishes a novel basis for additional experimental investigations into the anti-tubercular properties of P. ostruthium. |
| format | Article |
| id | doaj-art-5a042e4bcbae4b9a828c6aabe5261198 |
| institution | Kabale University |
| issn | 2772-6320 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Health Sciences Review |
| spelling | doaj-art-5a042e4bcbae4b9a828c6aabe52611982025-02-08T05:01:43ZengElsevierHealth Sciences Review2772-63202025-03-0114100219Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agentsNeeru Bhanwala0Raunak Katiyar1Sumit Kumar2Ashok K. Datusalia3Gopal L. Khatik4Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research Raebareli, Transit Campus, Bijnor-Sisendi Road, Sarojini Nagar, Near CRPF Base Camp, Lucknow, Uttar Pradesh, 226002, IndiaDepartment of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research Raebareli, Transit Campus, Bijnor-Sisendi Road, Sarojini Nagar, Near CRPF Base Camp, Lucknow, Uttar Pradesh, 226002, IndiaDepartment of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research Raebareli, Transit Campus, Bijnor-Sisendi Road, Sarojini Nagar, Near CRPF Base Camp, Lucknow, Uttar Pradesh, 226002, IndiaDepartment of Pharmacology & Toxicology, National Institute of Pharmaceutical Education and Research Raebareli, Transit Campus, Bijnor-Sisendi Road, Sarojini Nagar, Near CRPF Base Camp, Lucknow, Uttar Pradesh, 226002, IndiaDepartment of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research Raebareli, Transit Campus, Bijnor-Sisendi Road, Sarojini Nagar, Near CRPF Base Camp, Lucknow, Uttar Pradesh, 226002, India; Corresponding author.Mycobacterium tuberculosis is the causative agent of tuberculosis (TB) globally. Despite significant progress in biomedical research, novel treatment strategies, and preventative measures, the incidence rates of TB continue to rise. Peucedanum ostruthium, often called masterwort, is a flowering plant from the Apiaceae family used to treat various ailments. However, the specific biochemical mechanism behind its therapeutic effect remains unidentified. The phytoconstituents of P. ostruthium were studied using Swiss Target Prediction to determine the target genes. The DisGeNET datasets were used to extract genes and variations associated with TB. Gene-gene interactions were examined using the STRING database, while gene enrichment analysis was done using the SR Plot database. P. ostruthium identified nine active constituents that have 256 potential therapeutic targets. In addition, the docking studies demonstrated that kampeferol-3-O-rutinoside exhibits stronger binding affinities to the Mycobacterial membrane protein Large 3 (MmpL3). This study presents compelling evidence that P. ostruthium may be effectively used to target TB after experimental validation. Additionally, it establishes a novel basis for additional experimental investigations into the anti-tubercular properties of P. ostruthium.http://www.sciencedirect.com/science/article/pii/S277263202500011XMycobacterium tuberculosisPeucedanum ostruthiumNetwork pharmacologyNatural productsPhytoconstituentsMolecular docking |
| spellingShingle | Neeru Bhanwala Raunak Katiyar Sumit Kumar Ashok K. Datusalia Gopal L. Khatik Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents Health Sciences Review Mycobacterium tuberculosis Peucedanum ostruthium Network pharmacology Natural products Phytoconstituents Molecular docking |
| title | Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents |
| title_full | Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents |
| title_fullStr | Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents |
| title_full_unstemmed | Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents |
| title_short | Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents |
| title_sort | network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of peucedanum ostruthium as anti tubercular agents |
| topic | Mycobacterium tuberculosis Peucedanum ostruthium Network pharmacology Natural products Phytoconstituents Molecular docking |
| url | http://www.sciencedirect.com/science/article/pii/S277263202500011X |
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