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| 標題: | Ethanolic Extracts of Datura innoxia Have Promising Acaricidal Activity against Rhipicephalus microplus as It Blocks the Glutathione S-Transferase Activity of the Target Tick |
| 作者: | Saman, Saman
Chen, Chien-Chin
Malak, Nosheen
Khan, Afshan
Nasreen, Nasreen
Khan, Adil
Niaz, Sadaf
Rehman, Gauhar
Rodriguez-Vivas, Roger I. I.
Cossio-Bayugar, Raquel |
| 貢獻者: | Abdul Wali Khan Univ Mardan, Dept Zool
Natl Cheng Kung Univ, Coll Biosci & Biotechnol, Dept Biotechnol & Bioind Sci
Yi Christian Hosp, Ditmanson Med Fdn Chia, Dept Pathol
Chia Nan Univ Pharm & Sci, Dept Cosmet Sci
Bacha Khan Univ Charsadda, Dept Zool
Univ Autonoma Yucatan, Fac Med Vet & Zootecnia, Dept Salud Anim & Med Prevent
Inst Nacl Invest Forestales Agr & Pecuarias INIFAP, Ctr Nacl Invest Disciplinarias Salud Anim & Inocu, Dept Artropodol |
| 關鍵字: | Datura innoxia
acaricide
glutathione S-transferases
phytochemicals
docking studies
tick-borne disease |
| 日期: | 2023 |
| 上傳時間: | 2024-12-24 18:00:10 (UTC+8) |
| 出版者: | MDPI |
| 摘要: | Rhipicephalus microplus is a major bovine ectoparasite that negatively impacts the cattle industry. The acaricidal activity of Datura innoxia ethanolic plant extract against R. microplus, compared with trichlorfon, was examined using the adult immersion test (AIT), and larval packet test (LPT). In vitro acaricidal activity of the selected plant extract against R. microplus engorged females was evaluated at different concentrations (2.5, 5, 10, 20, and 40 mg/mL), and was the same for AIT and LPT. It was further supported by in silico molecular docking of D. innoxia's 21 phytochemicals against the R. microplus Glutathione S-transferases (RmGST) protein's three-dimensional (3D) structure predicted by the trRosetta server. The modeled 3D structure was then evaluated and confirmed with PROCHECK, ERRAT, and Verify3D online servers. To predict the binding mechanisms of these compounds, molecular docking was performed using Auto dock Vina software, and molecular dynamic (MD) simulations were used to investigate the protein atom's dynamic motion. D. innoxia has a relatively higher inhibitory effect on oviposition (from 9.81% to 45.37%) and total larval mortality (42.33% at 24 h and 93.67% at 48 h) at 40 mg/mL. Moreover, the docking results showed that the chemicals norapoatropine and 7-Hydroxyhyoscyamine have strong interactions with active site residues of the target protein, with a docking score of -7.3 and -7.0 Kcal/mol, respectively. The current work also provided a computational basis for the inhibitors of Glutathione S-transferases that were studied in this research work, and this new knowledge should aid in creating new and effective acaricidal chemicals. Furthermore, this plant extract's acaricide activity and its effect on oviposition and larval mortality were established in this work for the first time, indicating the possible use of this extract in the management of ticks. |
| 關聯: | Genes, v.14, n.1, Article 118 |
| 顯示於類別: | [化妝品應用與管理系(所)] 期刊論文
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