Exploring Bacopa monnieri phytochemicals as potential RSV inhibitors: An in-silico analysis of key compounds against fusion and glycoprotein targets
Background: Respiratory Syncytial Virus (RSV), also known as Human Orthopneumovirus, is a significant cause of lower respiratory tract infections worldwide, particularly impacting children. Despite the urgent need, effective vaccines and treatments remain limited. Natural products, especially phytoc...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Zagazig University, Faculty of Medicine
2025-08-01
|
| Series: | Microbes and Infectious Diseases |
| Subjects: | |
| Online Access: | https://mid.journals.ekb.eg/article_405100_5eab8268d5c0ac31513385a57c0e985d.pdf |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1849402987778146304 |
|---|---|
| author | Pooja Yadav Siddharth Singh Priyanshi Dwivedi Mala Trivedi Aditi Singh |
| author_facet | Pooja Yadav Siddharth Singh Priyanshi Dwivedi Mala Trivedi Aditi Singh |
| author_sort | Pooja Yadav |
| collection | DOAJ |
| description | Background: Respiratory Syncytial Virus (RSV), also known as Human Orthopneumovirus, is a significant cause of lower respiratory tract infections worldwide, particularly impacting children. Despite the urgent need, effective vaccines and treatments remain limited. Natural products, especially phytochemicals from medicinal plants, have recently gained attention as potential sources of antiviral agents. Methods: We investigated phytochemicals from Bacopa monnieri, an herb with a long-standing history in traditional medicine, for their antiviral potential against RSV. Using in-silico molecular docking, six key phytochemicals (Betulinic acid, Jujubogenin, Bacogenin-a1, Pseudojujubogenin, Bacosine, and Ebelin lactone) were selected based on Lipinski’s rule and binding affinity toward RSV's essential proteins, the Fusion (F) and Glycoprotein (G). Results: Docking results revealed that Jujubogenin exhibited the strongest binding affinity, with scores of -9.4 kcal/mol for the F protein and -8.7 kcal/mol for the G protein, suggesting its potential to inhibit RSV entry and infection processes. Conclusion: This study demonstrates that phytochemicals from Bacopa monnieri may offer a promising direction for developing natural therapeutics against RSV |
| format | Article |
| id | doaj-art-8d6fce2bd10c4123924a906b3045b52f |
| institution | Kabale University |
| issn | 2682-4132 2682-4140 |
| language | English |
| publishDate | 2025-08-01 |
| publisher | Zagazig University, Faculty of Medicine |
| record_format | Article |
| series | Microbes and Infectious Diseases |
| spelling | doaj-art-8d6fce2bd10c4123924a906b3045b52f2025-08-20T03:37:23ZengZagazig University, Faculty of MedicineMicrobes and Infectious Diseases2682-41322682-41402025-08-01632013202210.21608/mid.2025.335374.2342405100Exploring Bacopa monnieri phytochemicals as potential RSV inhibitors: An in-silico analysis of key compounds against fusion and glycoprotein targetsPooja Yadav0Siddharth Singh1Priyanshi Dwivedi2Mala Trivedi3Aditi Singh4Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Gomti Nagar Extension, Lucknow - 226028 (INDIA)Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Gomti Nagar Extension, Lucknow - 226028 (INDIA)Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Gomti Nagar Extension, Lucknow - 226028 (INDIA)Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Gomti Nagar Extension, Lucknow - 226028 (INDIA)Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Gomti Nagar Extension, Lucknow - 226028 (INDIA)Background: Respiratory Syncytial Virus (RSV), also known as Human Orthopneumovirus, is a significant cause of lower respiratory tract infections worldwide, particularly impacting children. Despite the urgent need, effective vaccines and treatments remain limited. Natural products, especially phytochemicals from medicinal plants, have recently gained attention as potential sources of antiviral agents. Methods: We investigated phytochemicals from Bacopa monnieri, an herb with a long-standing history in traditional medicine, for their antiviral potential against RSV. Using in-silico molecular docking, six key phytochemicals (Betulinic acid, Jujubogenin, Bacogenin-a1, Pseudojujubogenin, Bacosine, and Ebelin lactone) were selected based on Lipinski’s rule and binding affinity toward RSV's essential proteins, the Fusion (F) and Glycoprotein (G). Results: Docking results revealed that Jujubogenin exhibited the strongest binding affinity, with scores of -9.4 kcal/mol for the F protein and -8.7 kcal/mol for the G protein, suggesting its potential to inhibit RSV entry and infection processes. Conclusion: This study demonstrates that phytochemicals from Bacopa monnieri may offer a promising direction for developing natural therapeutics against RSVhttps://mid.journals.ekb.eg/article_405100_5eab8268d5c0ac31513385a57c0e985d.pdfrespiratory syncytial virusphytochemicaldockingbrahmimedicinal plants |
| spellingShingle | Pooja Yadav Siddharth Singh Priyanshi Dwivedi Mala Trivedi Aditi Singh Exploring Bacopa monnieri phytochemicals as potential RSV inhibitors: An in-silico analysis of key compounds against fusion and glycoprotein targets Microbes and Infectious Diseases respiratory syncytial virus phytochemical docking brahmi medicinal plants |
| title | Exploring Bacopa monnieri phytochemicals as potential RSV inhibitors: An in-silico analysis of key compounds against fusion and glycoprotein targets |
| title_full | Exploring Bacopa monnieri phytochemicals as potential RSV inhibitors: An in-silico analysis of key compounds against fusion and glycoprotein targets |
| title_fullStr | Exploring Bacopa monnieri phytochemicals as potential RSV inhibitors: An in-silico analysis of key compounds against fusion and glycoprotein targets |
| title_full_unstemmed | Exploring Bacopa monnieri phytochemicals as potential RSV inhibitors: An in-silico analysis of key compounds against fusion and glycoprotein targets |
| title_short | Exploring Bacopa monnieri phytochemicals as potential RSV inhibitors: An in-silico analysis of key compounds against fusion and glycoprotein targets |
| title_sort | exploring bacopa monnieri phytochemicals as potential rsv inhibitors an in silico analysis of key compounds against fusion and glycoprotein targets |
| topic | respiratory syncytial virus phytochemical docking brahmi medicinal plants |
| url | https://mid.journals.ekb.eg/article_405100_5eab8268d5c0ac31513385a57c0e985d.pdf |
| work_keys_str_mv | AT poojayadav exploringbacopamonnieriphytochemicalsaspotentialrsvinhibitorsaninsilicoanalysisofkeycompoundsagainstfusionandglycoproteintargets AT siddharthsingh exploringbacopamonnieriphytochemicalsaspotentialrsvinhibitorsaninsilicoanalysisofkeycompoundsagainstfusionandglycoproteintargets AT priyanshidwivedi exploringbacopamonnieriphytochemicalsaspotentialrsvinhibitorsaninsilicoanalysisofkeycompoundsagainstfusionandglycoproteintargets AT malatrivedi exploringbacopamonnieriphytochemicalsaspotentialrsvinhibitorsaninsilicoanalysisofkeycompoundsagainstfusionandglycoproteintargets AT aditisingh exploringbacopamonnieriphytochemicalsaspotentialrsvinhibitorsaninsilicoanalysisofkeycompoundsagainstfusionandglycoproteintargets |