Amin Nabi, Wu Chia-Hung, Malak Nosheen, Khan Afshan, Ullah Shakir, Ahmad Imtiaz, Khan Muazzam Ali, Naveed Muhammad, Ullah Zakir, Naz Saira, Khan Adil, Chen Chien-Chin
Department of Botany and Zoology, Bacha Khan University, Peshawar, Charsadda 24420, Khyber Pakhtunkhwa, Pakistan.
Division of General Surgery, Department of Surgery, Ditmanson Medical Foundation Chia-Yi Christian Hospital, Chiayi 600, Taiwan.
Curr Pharm Des. 2025;31(12):992-1005. doi: 10.2174/0113816128317849241108064144.
Effective management strategies against tick infestations are necessary because tickborne diseases represent serious hazards to the health of humans and animals worldwide. The aim of this study was to examine the larvicidal and ovicidal properties of extract against a notorious tick species, Methodology: The maceration method was used to prepare the ethanolic extract of . The extract was then used in an adult immersion test (AIT) and larval packet test (LPT) to asses the plant's toxicity. To elucidate the mode of action, molecular modeling and docking studies were conducted. ADMET analysis was then carried out to find out the drug-likeness profiles of the plant phytochemicals.
Significant death rates and egg inhibition were found at different extract doses using the larval packet test (LPT) and adult immersion test (AIT). A concentration-dependent impact was observed at a concentration of 40 mg/mL, which resulted in the maximum larval mortality (92 ± 2.646) and egg inhibition (77.057 ± 2.186). Additionally, the potency of the extract against was determined by calculating its fatal concentrations (LC, LC, and LC). A three-dimensional model of the octopamine receptor was created, and docking studies showed that the receptor and possible ligands, most notably Xanthatin and Xanthosin, interacted well. The potential of compounds as tick control agents was highlighted by their pharmacokinetic characteristics and toxicity profiles, as revealed by drug-likeness and ADMET studies. Molecular dynamic simulations further demonstrated the stability of the protein-ligand complex, indicating the consistent association between the ligand and the target protein.
Overall, this study provides valuable insights into the potential use of extract and its compounds as larvicidal and ovicidal agents against , paving the way for further research on tick control strategies.
由于蜱传疾病对全球人类和动物的健康构成严重危害,因此需要有效的蜱虫侵扰管理策略。本研究的目的是检测提取物对一种臭名昭著的蜱虫物种的杀幼虫和杀卵特性。方法:采用浸渍法制备提取物的乙醇提取物。然后将提取物用于成虫浸泡试验(AIT)和幼虫包囊试验(LPT),以评估该植物的毒性。为了阐明作用方式,进行了分子建模和对接研究。然后进行ADMET分析,以了解植物植物化学物质的类药特性。
使用幼虫包囊试验(LPT)和成虫浸泡试验(AIT)在不同提取物剂量下发现了显著的死亡率和卵抑制率。在40mg/mL的浓度下观察到浓度依赖性影响,这导致了最大幼虫死亡率(92±2.646)和卵抑制率(77.057±2.186)。此外,通过计算其致死浓度(LC、LC和LC)来确定提取物对的效力。创建了章鱼胺受体的三维模型,对接研究表明该受体与可能的配体,最显著的是黄檀内酯和黄檀苷,相互作用良好。类药和ADMET研究揭示的药代动力学特征和毒性概况突出了这些化合物作为蜱虫控制剂的潜力。分子动力学模拟进一步证明了蛋白质-配体复合物的稳定性,表明配体与靶蛋白之间存在持续的关联。
总体而言,本研究为提取物及其化合物作为针对的杀幼虫和杀卵剂的潜在用途提供了有价值的见解,为蜱虫控制策略的进一步研究铺平了道路。