In Vitro and In Silico Protocols for the Assessment of Anti-Tick Compounds from <i>Pinus roxburghii</i> against <i>Rhipicephalus (Boophilus) microplus</i> Ticks
<i>Pinus roxburghii</i>, also known by the name “Himalayan chir pine,” belongs to the Pinaceae family. <i>Rhipicephalus</i> (<i>Boophilus</i>) <i>microplus</i> tick is one of the most significant bovine ectoparasites, making it a major vector of econom...
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MDPI AG
2023-04-01
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| author | Sana Ayub Nosheen Malak Raquel Cossío-Bayúgar Nasreen Nasreen Afshan Khan Sadaf Niaz Adil Khan Abdallah D. Alanazi Mourad Ben Said |
| author_facet | Sana Ayub Nosheen Malak Raquel Cossío-Bayúgar Nasreen Nasreen Afshan Khan Sadaf Niaz Adil Khan Abdallah D. Alanazi Mourad Ben Said |
| author_sort | Sana Ayub |
| collection | DOAJ |
| description | <i>Pinus roxburghii</i>, also known by the name “Himalayan chir pine,” belongs to the Pinaceae family. <i>Rhipicephalus</i> (<i>Boophilus</i>) <i>microplus</i> tick is one of the most significant bovine ectoparasites, making it a major vector of economically important tick-borne diseases. The researchers conducted adult immersion tests (AIT) and larval packet tests (LPT) to investigate the acaricidal effect of <i>P. roxburghii</i> plant extract on <i>R.</i> (<i>B.</i>) <i>microplus</i> and its potential modulatory function when used with cypermethrin. Eggs were also assessed for their weight, egg-laying index (IE), hatchability rate, and control rate. After exposure to essential extract concentrations ranging from 2.5 to 40 mg/mL for 48 h, adult female ticks’ oviposition inhibition and unfed <i>R.</i> (<i>B.</i>) <i>microplus</i> larvae’s mortality rates were analyzed. Engorged females exposed to <i>P. roxburghii</i> at 40 mg/mL had reduced biological activity (oviposition, IE) compared to positive and negative controls. A concentration of 40 mg/mL of <i>P. roxburghii</i> caused 90% mortality in <i>R.</i> (<i>B.</i>) <i>microplus</i> larvae, whereas cypermethrin (the positive control) caused 98.3% mortality in LPT. In AIT, cypermethrin inhibited 81% of oviposition, compared to the 40 mg/mL concentration of <i>P. roxburghii</i>, which inhibited 40% of the ticks’ oviposition. Moreover, this study assessed the binding capacity of selected phytocompounds with the targeted protein. Three servers (SWISS-MODEL, RoseTTAFold, and TrRosetta) recreated the target protein RmGABACl’s 3D structure. The modeled 3D structure was validated using the online servers PROCHECK, ERRAT, and Prosa. Molecular docking using Auto Dock VINA predicted the binding mechanisms of 20 drug-like compounds against the target protein. Catechin and myricetin showed significant interactions with active site residues of the target protein, with docking scores of −7.7 kcal/mol and −7.6 kcal/mol, respectively. In conclusion, this study demonstrated the acaricidal activity of <i>P. roxburghii</i> extract, suggesting its potential as an alternative natural acaricide for controlling <i>R.</i> (<i>B</i>.) microplus. |
| first_indexed | 2024-03-11T05:19:28Z |
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| spelling | doaj.art-f644da23e5a04670800fafc11aa86d512023-11-17T18:01:07ZengMDPI AGAnimals2076-26152023-04-01138138810.3390/ani13081388In Vitro and In Silico Protocols for the Assessment of Anti-Tick Compounds from <i>Pinus roxburghii</i> against <i>Rhipicephalus (Boophilus) microplus</i> TicksSana Ayub0Nosheen Malak1Raquel Cossío-Bayúgar2Nasreen Nasreen3Afshan Khan4Sadaf Niaz5Adil Khan6Abdallah D. Alanazi7Mourad Ben Said8Department of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, PakistanDepartment of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, PakistanCentro Nacional de Investigaciones Disciplinarias en Salud Animal e Inocuidad, Departamento de Artropodología, Instituto Nacional de Investigaciones Forestales Agrícolas y Pecuarias (INIFAP), Boulevard Cuauhnahuac No. 8534, Jiutepec 62574, MexicoDepartment of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, PakistanDepartment of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, PakistanDepartment of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, PakistanDepartment of Zoology, Bacha Khan University Charsadda, Charsadda 24420, PakistanDepartment of Biological Sciences, Faculty of Science and Humanities, Shaqra University, Ad-Dawadimi 11911, Saudi ArabiaDepartment of Basic Sciences, Higher Institute of Biotechnology of Sidi Thabet, University of Manouba, Manouba 2010, Tunisia<i>Pinus roxburghii</i>, also known by the name “Himalayan chir pine,” belongs to the Pinaceae family. <i>Rhipicephalus</i> (<i>Boophilus</i>) <i>microplus</i> tick is one of the most significant bovine ectoparasites, making it a major vector of economically important tick-borne diseases. The researchers conducted adult immersion tests (AIT) and larval packet tests (LPT) to investigate the acaricidal effect of <i>P. roxburghii</i> plant extract on <i>R.</i> (<i>B.</i>) <i>microplus</i> and its potential modulatory function when used with cypermethrin. Eggs were also assessed for their weight, egg-laying index (IE), hatchability rate, and control rate. After exposure to essential extract concentrations ranging from 2.5 to 40 mg/mL for 48 h, adult female ticks’ oviposition inhibition and unfed <i>R.</i> (<i>B.</i>) <i>microplus</i> larvae’s mortality rates were analyzed. Engorged females exposed to <i>P. roxburghii</i> at 40 mg/mL had reduced biological activity (oviposition, IE) compared to positive and negative controls. A concentration of 40 mg/mL of <i>P. roxburghii</i> caused 90% mortality in <i>R.</i> (<i>B.</i>) <i>microplus</i> larvae, whereas cypermethrin (the positive control) caused 98.3% mortality in LPT. In AIT, cypermethrin inhibited 81% of oviposition, compared to the 40 mg/mL concentration of <i>P. roxburghii</i>, which inhibited 40% of the ticks’ oviposition. Moreover, this study assessed the binding capacity of selected phytocompounds with the targeted protein. Three servers (SWISS-MODEL, RoseTTAFold, and TrRosetta) recreated the target protein RmGABACl’s 3D structure. The modeled 3D structure was validated using the online servers PROCHECK, ERRAT, and Prosa. Molecular docking using Auto Dock VINA predicted the binding mechanisms of 20 drug-like compounds against the target protein. Catechin and myricetin showed significant interactions with active site residues of the target protein, with docking scores of −7.7 kcal/mol and −7.6 kcal/mol, respectively. In conclusion, this study demonstrated the acaricidal activity of <i>P. roxburghii</i> extract, suggesting its potential as an alternative natural acaricide for controlling <i>R.</i> (<i>B</i>.) microplus.https://www.mdpi.com/2076-2615/13/8/1388<i>Rhipicephalus (Boophilus) microplus</i> ticksacaricidal activity<i>Pinus roxburghii</i>cypermethrinplant extractmolecular docking |
| spellingShingle | Sana Ayub Nosheen Malak Raquel Cossío-Bayúgar Nasreen Nasreen Afshan Khan Sadaf Niaz Adil Khan Abdallah D. Alanazi Mourad Ben Said In Vitro and In Silico Protocols for the Assessment of Anti-Tick Compounds from <i>Pinus roxburghii</i> against <i>Rhipicephalus (Boophilus) microplus</i> Ticks Animals <i>Rhipicephalus (Boophilus) microplus</i> ticks acaricidal activity <i>Pinus roxburghii</i> cypermethrin plant extract molecular docking |
| title | In Vitro and In Silico Protocols for the Assessment of Anti-Tick Compounds from <i>Pinus roxburghii</i> against <i>Rhipicephalus (Boophilus) microplus</i> Ticks |
| title_full | In Vitro and In Silico Protocols for the Assessment of Anti-Tick Compounds from <i>Pinus roxburghii</i> against <i>Rhipicephalus (Boophilus) microplus</i> Ticks |
| title_fullStr | In Vitro and In Silico Protocols for the Assessment of Anti-Tick Compounds from <i>Pinus roxburghii</i> against <i>Rhipicephalus (Boophilus) microplus</i> Ticks |
| title_full_unstemmed | In Vitro and In Silico Protocols for the Assessment of Anti-Tick Compounds from <i>Pinus roxburghii</i> against <i>Rhipicephalus (Boophilus) microplus</i> Ticks |
| title_short | In Vitro and In Silico Protocols for the Assessment of Anti-Tick Compounds from <i>Pinus roxburghii</i> against <i>Rhipicephalus (Boophilus) microplus</i> Ticks |
| title_sort | in vitro and in silico protocols for the assessment of anti tick compounds from i pinus roxburghii i against i rhipicephalus boophilus microplus i ticks |
| topic | <i>Rhipicephalus (Boophilus) microplus</i> ticks acaricidal activity <i>Pinus roxburghii</i> cypermethrin plant extract molecular docking |
| url | https://www.mdpi.com/2076-2615/13/8/1388 |
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