Beyond the Magic of Moringa oleifera: Its Potential to Control Indonesian Serotype of Footand-Mouth-Disease Virus Replication through Inhibition of 3-Cysteine Protease
Foot-and-Mouth Disease (FMD) poses a significant threat to livestock worldwide, necessitating innovative approaches to combat its causative agent, the FMD virus (FMDV). On the other hand, Moringa oleifera is a feed alternative for cattles with numerous bioactive compounds. This paper delves into the...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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EDP Sciences
2024-01-01
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| Series: | BIO Web of Conferences |
| Online Access: | https://www.bio-conferences.org/articles/bioconf/pdf/2024/07/bioconf_icias2024_00010.pdf |
| _version_ | 1797345654131916800 |
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| author | Kusuma Kavana Hafil Widyananda Muhammad Hermawan Grahadi Rahmat Souhaly Jantje Wiliem Hermanto Feri Eko |
| author_facet | Kusuma Kavana Hafil Widyananda Muhammad Hermawan Grahadi Rahmat Souhaly Jantje Wiliem Hermanto Feri Eko |
| author_sort | Kusuma Kavana Hafil |
| collection | DOAJ |
| description | Foot-and-Mouth Disease (FMD) poses a significant threat to livestock worldwide, necessitating innovative approaches to combat its causative agent, the FMD virus (FMDV). On the other hand, Moringa oleifera is a feed alternative for cattles with numerous bioactive compounds. This paper delves into the captivating realm of Moringa oleifera (MO) bioactives and their potential in thwarting FMDV replication by targeting the essential enzyme, 3C Protease (3CP). To elucidate the inhibitory potential of these bioactives, a rigorous investigation involving molecular docking and molecular dynamics simulations was conducted. Specifically, the 3CP was modeled based on the amino acid sequence of FMDV Indonesian Serotype. Results showed that most of the compounds from MO outperformed Ribavirin as the standard therapy for FMD. Among them, Baicalin, Chlorogenic Acid, and Rutin have binding affinity -9.1, -8.1, and -8.1 kcal/mol, respectively. Those compounds also formed more hydrogen bonds than Ribavirin through their binding sites. Molecular dynamics simulation also revealed that interaction of 3CP with those compounds had minor influence on its structural stability. The conformation of those compounds is also more stable than Ribavirin, supported by more hydrogen bonds. In summary, this research highlighted the potential mechanism of MO bioactives in preventing severe FMDV infection through inhibition of viral replication. |
| first_indexed | 2024-03-08T11:20:52Z |
| format | Article |
| id | doaj.art-cff3e395723d44138849510f5bd5d228 |
| institution | Directory Open Access Journal |
| issn | 2117-4458 |
| language | English |
| last_indexed | 2024-03-08T11:20:52Z |
| publishDate | 2024-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | BIO Web of Conferences |
| spelling | doaj.art-cff3e395723d44138849510f5bd5d2282024-01-26T09:39:12ZengEDP SciencesBIO Web of Conferences2117-44582024-01-01880001010.1051/bioconf/20248800010bioconf_icias2024_00010Beyond the Magic of Moringa oleifera: Its Potential to Control Indonesian Serotype of Footand-Mouth-Disease Virus Replication through Inhibition of 3-Cysteine ProteaseKusuma Kavana Hafil0Widyananda Muhammad Hermawan1Grahadi Rahmat2Souhaly Jantje Wiliem3Hermanto Feri Eko4Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas BrawijayaDepartment of Biology, Faculty of Mathematics and Natural Sciences, Universitas BrawijayaDepartment of Biology, Faculty of Mathematics and Natural Sciences, Universitas BrawijayaFaculty of Biology, Universitas Gadjah MadaFaculty of Animal Sciences, Universitas BrawijayaFoot-and-Mouth Disease (FMD) poses a significant threat to livestock worldwide, necessitating innovative approaches to combat its causative agent, the FMD virus (FMDV). On the other hand, Moringa oleifera is a feed alternative for cattles with numerous bioactive compounds. This paper delves into the captivating realm of Moringa oleifera (MO) bioactives and their potential in thwarting FMDV replication by targeting the essential enzyme, 3C Protease (3CP). To elucidate the inhibitory potential of these bioactives, a rigorous investigation involving molecular docking and molecular dynamics simulations was conducted. Specifically, the 3CP was modeled based on the amino acid sequence of FMDV Indonesian Serotype. Results showed that most of the compounds from MO outperformed Ribavirin as the standard therapy for FMD. Among them, Baicalin, Chlorogenic Acid, and Rutin have binding affinity -9.1, -8.1, and -8.1 kcal/mol, respectively. Those compounds also formed more hydrogen bonds than Ribavirin through their binding sites. Molecular dynamics simulation also revealed that interaction of 3CP with those compounds had minor influence on its structural stability. The conformation of those compounds is also more stable than Ribavirin, supported by more hydrogen bonds. In summary, this research highlighted the potential mechanism of MO bioactives in preventing severe FMDV infection through inhibition of viral replication.https://www.bio-conferences.org/articles/bioconf/pdf/2024/07/bioconf_icias2024_00010.pdf |
| spellingShingle | Kusuma Kavana Hafil Widyananda Muhammad Hermawan Grahadi Rahmat Souhaly Jantje Wiliem Hermanto Feri Eko Beyond the Magic of Moringa oleifera: Its Potential to Control Indonesian Serotype of Footand-Mouth-Disease Virus Replication through Inhibition of 3-Cysteine Protease BIO Web of Conferences |
| title | Beyond the Magic of Moringa oleifera: Its Potential to Control Indonesian Serotype of Footand-Mouth-Disease Virus Replication through Inhibition of 3-Cysteine Protease |
| title_full | Beyond the Magic of Moringa oleifera: Its Potential to Control Indonesian Serotype of Footand-Mouth-Disease Virus Replication through Inhibition of 3-Cysteine Protease |
| title_fullStr | Beyond the Magic of Moringa oleifera: Its Potential to Control Indonesian Serotype of Footand-Mouth-Disease Virus Replication through Inhibition of 3-Cysteine Protease |
| title_full_unstemmed | Beyond the Magic of Moringa oleifera: Its Potential to Control Indonesian Serotype of Footand-Mouth-Disease Virus Replication through Inhibition of 3-Cysteine Protease |
| title_short | Beyond the Magic of Moringa oleifera: Its Potential to Control Indonesian Serotype of Footand-Mouth-Disease Virus Replication through Inhibition of 3-Cysteine Protease |
| title_sort | beyond the magic of moringa oleifera its potential to control indonesian serotype of footand mouth disease virus replication through inhibition of 3 cysteine protease |
| url | https://www.bio-conferences.org/articles/bioconf/pdf/2024/07/bioconf_icias2024_00010.pdf |
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