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用于评估来自[具体来源]的抗蜱化合物对蜱虫作用的体外和计算机模拟实验方案

In Vitro and In Silico Protocols for the Assessment of Anti-Tick Compounds from against Ticks.

作者信息

Ayub Sana, Malak Nosheen, Cossío-Bayúgar Raquel, Nasreen Nasreen, Khan Afshan, Niaz Sadaf, Khan Adil, Alanazi Abdallah D, Ben Said Mourad

机构信息

Department of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan.

Centro 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, Mexico.

出版信息

Animals (Basel). 2023 Apr 18;13(8):1388. doi: 10.3390/ani13081388.

Abstract

, also known by the name "Himalayan chir pine," belongs to the Pinaceae family. () 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 plant extract on () 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 () larvae's mortality rates were analyzed. Engorged females exposed to at 40 mg/mL had reduced biological activity (oviposition, IE) compared to positive and negative controls. A concentration of 40 mg/mL of caused 90% mortality in () 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 , 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 extract, suggesting its potential as an alternative natural acaricide for controlling (.) microplus.

摘要

(该植物)也被称为“喜马拉雅山松”,属于松科。(某种蜱)是牛最重要的体外寄生虫之一,是经济上重要的蜱传疾病的主要传播媒介。研究人员进行了成虫浸泡试验(AIT)和幼虫包囊试验(LPT),以研究(该)植物提取物对(该蜱)的杀螨效果及其与氯氰菊酯联合使用时的潜在调节功能。还评估了卵的重量、产卵指数(IE)、孵化率和防治率。在暴露于浓度范围为2.5至40mg/mL的精油提取物48小时后,分析了成年雌性蜱的产卵抑制和未进食(该蜱)幼虫的死亡率。与阳性和阴性对照相比,暴露于40mg/mL(该提取物)的饱血雌性蜱的生物活性(产卵、IE)降低。40mg/mL的(该提取物)导致(该蜱)幼虫90%的死亡率,而氯氰菊酯(阳性对照)在LPT中导致98.3%的死亡率。在AIT中,氯氰菊酯抑制了81%的产卵,相比之下,40mg/mL浓度的(该提取物)抑制了40%的蜱产卵。此外,本研究评估了所选植物化合物与目标蛋白的结合能力。三个服务器(SWISS-MODEL、RoseTTAFold和TrRosetta)重建了目标蛋白RmGABACl的三维结构。使用在线服务器PROCHECK、ERRAT和Prosa对建模的三维结构进行了验证。使用Auto Dock VINA进行分子对接预测了20种类药物化合物与目标蛋白的结合机制。儿茶素和杨梅素与目标蛋白的活性位点残基表现出显著相互作用,对接分数分别为-7.7kcal/mol和-7.6kcal/mol。总之,本研究证明了(该)提取物的杀螨活性,表明其作为控制微小牛蜱的替代天然杀螨剂的潜力。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6c11/10135231/bdb0e2440e64/animals-13-01388-g001.jpg

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