Amebicidal and Antiadhesion Activities of Knema retusa Extract Against Acanthamoeba triangularis T4 Genotype on Contact Lenses and Modeling Simulation of Its Main Compound, E2N, Against Acanthamoeba Beta-Tubulin
Medicinal plants have been used as alternative agents for the treatment of infections. This study aimed to investigate bioactivities of medicinal plant extracts including Knema retusa extract (Kre) against Acanthamoeba triangularis T4 in vitro and in silico. Anti-Acanthamoeba activities of 44 extrac...
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Wiley
2025-01-01
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| Series: | Scientifica |
| Online Access: | http://dx.doi.org/10.1155/sci5/4311313 |
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| author | Watcharapong Mitsuwan Imran Sama-ae Suthinee Sangkanu Dhrubo Ahmed Khan Partha Biswas Md. Nazmul Hasan Julalak Chuprom Tajudeen O. Jimoh Christophe Wiart Masyitah Binti Zulkipli Nor Hayati Abdullah Maria de Lourdes Pereira Sonia M. Rodrigues Oliveira Shanmuga Sundar Saravanabhavan Polrat Wilairatana Tooba Mahboob Veeranoot Nissapatorn |
| author_facet | Watcharapong Mitsuwan Imran Sama-ae Suthinee Sangkanu Dhrubo Ahmed Khan Partha Biswas Md. Nazmul Hasan Julalak Chuprom Tajudeen O. Jimoh Christophe Wiart Masyitah Binti Zulkipli Nor Hayati Abdullah Maria de Lourdes Pereira Sonia M. Rodrigues Oliveira Shanmuga Sundar Saravanabhavan Polrat Wilairatana Tooba Mahboob Veeranoot Nissapatorn |
| author_sort | Watcharapong Mitsuwan |
| collection | DOAJ |
| description | Medicinal plants have been used as alternative agents for the treatment of infections. This study aimed to investigate bioactivities of medicinal plant extracts including Knema retusa extract (Kre) against Acanthamoeba triangularis T4 in vitro and in silico. Anti-Acanthamoeba activities of 44 extracts from 5 plant species were determined. From 44 tested extracts, a chloroform extract of Kre bark showed the strongest anti-Acanthamoeba activities against both trophozoites and cysts, with MIC values of 32.25 and 62.50 μg/mL, respectively. Then, amebicidal and antiadhesion activities of Kre against A. triangularis were investigated. Kre reduced the growth by 3 logs within 8 h at 4 × MIC. Disruption of the cells with abnormal shapes was observed when trophozoites were treated with Kre. Trophozoites had lost their robust acanthopodia and began to shrink after treatment with Kre. Treated cysts exhibited wall disruption and dramatically showed forms of marked retraction. Treatment of Kre at 1/2 × MIC showed about 87% reduction in the trophozoite adhesion, while treatment at 2 × MIC exhibited a 59% reduction in the trophozoite adhesion to the plastic surface, compared with the control. Furthermore, 1 log cells/mL (90%) of the contact lens adhesive trophozoites were reduced and removed after treatment with Kre. Molecular docking indicated that E2N, the main compound in Kre, exhibited strong binding to the ligand binding sites at β-tubulin, with a binding energy of −7.01 kcal/mol and an inhibitory constant of 2.43–7.32 μM. E2N generated multiple connections via hydrogen, hydrophobic, ionic, and water bridge bonding and maintained these connections until the simulation finished, facilitating the creation of stable bindings with the β-tubulin protein as measured by molecular dynamics simulation. These findings suggest that Kre exhibits amebicidal and antiadhesion activities which could be used for the prevention of A. triangularis adhesion to contact lenses. |
| format | Article |
| id | doaj-art-87821898f1c445c589f89eae4b9108b1 |
| institution | Kabale University |
| issn | 2090-908X |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Wiley |
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| spelling | doaj-art-87821898f1c445c589f89eae4b9108b12025-02-07T00:47:32ZengWileyScientifica2090-908X2025-01-01202510.1155/sci5/4311313Amebicidal and Antiadhesion Activities of Knema retusa Extract Against Acanthamoeba triangularis T4 Genotype on Contact Lenses and Modeling Simulation of Its Main Compound, E2N, Against Acanthamoeba Beta-TubulinWatcharapong Mitsuwan0Imran Sama-ae1Suthinee Sangkanu2Dhrubo Ahmed Khan3Partha Biswas4Md. Nazmul Hasan5Julalak Chuprom6Tajudeen O. Jimoh7Christophe Wiart8Masyitah Binti Zulkipli9Nor Hayati Abdullah10Maria de Lourdes Pereira11Sonia M. Rodrigues Oliveira12Shanmuga Sundar Saravanabhavan13Polrat Wilairatana14Tooba Mahboob15Veeranoot Nissapatorn16Akkhraratchakumari Veterinary CollegeSchool of Allied Health SciencesSchool of Allied Health SciencesDepartment of Genetic Engineering and BiotechnologyDepartment of Genetic Engineering and BiotechnologyDepartment of Genetic Engineering and BiotechnologySchool of Languages and General EducationDepartment of MicrobiologyThe Institute for Tropical Biology and ConservationSchool of PharmacyNatural Product DivisionDepartment of Medical SciencesDepartment of Medical SciencesDepartment of BiotechnologyDepartment of Clinical Tropical MedicineFaculty of Pharmaceutical SciencesSchool of Allied Health SciencesMedicinal plants have been used as alternative agents for the treatment of infections. This study aimed to investigate bioactivities of medicinal plant extracts including Knema retusa extract (Kre) against Acanthamoeba triangularis T4 in vitro and in silico. Anti-Acanthamoeba activities of 44 extracts from 5 plant species were determined. From 44 tested extracts, a chloroform extract of Kre bark showed the strongest anti-Acanthamoeba activities against both trophozoites and cysts, with MIC values of 32.25 and 62.50 μg/mL, respectively. Then, amebicidal and antiadhesion activities of Kre against A. triangularis were investigated. Kre reduced the growth by 3 logs within 8 h at 4 × MIC. Disruption of the cells with abnormal shapes was observed when trophozoites were treated with Kre. Trophozoites had lost their robust acanthopodia and began to shrink after treatment with Kre. Treated cysts exhibited wall disruption and dramatically showed forms of marked retraction. Treatment of Kre at 1/2 × MIC showed about 87% reduction in the trophozoite adhesion, while treatment at 2 × MIC exhibited a 59% reduction in the trophozoite adhesion to the plastic surface, compared with the control. Furthermore, 1 log cells/mL (90%) of the contact lens adhesive trophozoites were reduced and removed after treatment with Kre. Molecular docking indicated that E2N, the main compound in Kre, exhibited strong binding to the ligand binding sites at β-tubulin, with a binding energy of −7.01 kcal/mol and an inhibitory constant of 2.43–7.32 μM. E2N generated multiple connections via hydrogen, hydrophobic, ionic, and water bridge bonding and maintained these connections until the simulation finished, facilitating the creation of stable bindings with the β-tubulin protein as measured by molecular dynamics simulation. These findings suggest that Kre exhibits amebicidal and antiadhesion activities which could be used for the prevention of A. triangularis adhesion to contact lenses.http://dx.doi.org/10.1155/sci5/4311313 |
| spellingShingle | Watcharapong Mitsuwan Imran Sama-ae Suthinee Sangkanu Dhrubo Ahmed Khan Partha Biswas Md. Nazmul Hasan Julalak Chuprom Tajudeen O. Jimoh Christophe Wiart Masyitah Binti Zulkipli Nor Hayati Abdullah Maria de Lourdes Pereira Sonia M. Rodrigues Oliveira Shanmuga Sundar Saravanabhavan Polrat Wilairatana Tooba Mahboob Veeranoot Nissapatorn Amebicidal and Antiadhesion Activities of Knema retusa Extract Against Acanthamoeba triangularis T4 Genotype on Contact Lenses and Modeling Simulation of Its Main Compound, E2N, Against Acanthamoeba Beta-Tubulin Scientifica |
| title | Amebicidal and Antiadhesion Activities of Knema retusa Extract Against Acanthamoeba triangularis T4 Genotype on Contact Lenses and Modeling Simulation of Its Main Compound, E2N, Against Acanthamoeba Beta-Tubulin |
| title_full | Amebicidal and Antiadhesion Activities of Knema retusa Extract Against Acanthamoeba triangularis T4 Genotype on Contact Lenses and Modeling Simulation of Its Main Compound, E2N, Against Acanthamoeba Beta-Tubulin |
| title_fullStr | Amebicidal and Antiadhesion Activities of Knema retusa Extract Against Acanthamoeba triangularis T4 Genotype on Contact Lenses and Modeling Simulation of Its Main Compound, E2N, Against Acanthamoeba Beta-Tubulin |
| title_full_unstemmed | Amebicidal and Antiadhesion Activities of Knema retusa Extract Against Acanthamoeba triangularis T4 Genotype on Contact Lenses and Modeling Simulation of Its Main Compound, E2N, Against Acanthamoeba Beta-Tubulin |
| title_short | Amebicidal and Antiadhesion Activities of Knema retusa Extract Against Acanthamoeba triangularis T4 Genotype on Contact Lenses and Modeling Simulation of Its Main Compound, E2N, Against Acanthamoeba Beta-Tubulin |
| title_sort | amebicidal and antiadhesion activities of knema retusa extract against acanthamoeba triangularis t4 genotype on contact lenses and modeling simulation of its main compound e2n against acanthamoeba beta tubulin |
| url | http://dx.doi.org/10.1155/sci5/4311313 |
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