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海洋大型藻类石莼中生物抑制剂对发光病致病哈维弧菌溶血蛋白的分子对接研究。

Molecular docking study of bio-inhibitors extracted from marine macro-alga Ulva fasciata against hemolysin protein of luminescence disease-causing Vibrio harveyi.

机构信息

ICAR-Krishi Vigyan Kendra, Tamil Nadu Veterinary and Animal Sciences University, Kattupakkam, Chennai, Tamil Nadu, 603203, India.

Crustacean Culture Division, ICAR-Central Institute of Brackishwater Aquaculture, Chennai, Tamil Nadu, 600028, India.

出版信息

Arch Microbiol. 2021 Sep;203(7):4243-4258. doi: 10.1007/s00203-021-02408-1. Epub 2021 Jun 7.

DOI:10.1007/s00203-021-02408-1
PMID:34097104
Abstract

Shrimp grow-out and hatchery systems are being affected by bacterial disease particularly Vibrios. The use of chemotherapeutic agents in aquaculture practices has to lead to the development of resistance among aquatic bacteria. Thus, health management becomes of major importance in aquaculture. Under this situation, progressing bio-inhibitors from marine resources are most appropriate to be considered against pathogenic bacteria. Molecular docking is an appropriate tool in structural biology and computer-assisted drug design to predict and neutralize a target protein of known diseases. In this study, marine macro-alga Ulva fasciata was aimed at developing inhibitors against luminescence disease-causing pathogenic bacteria Vibrio harveyi. U. fasciata was collected from Thoothukudi, Tamil Nadu, India. Extract of U. fasciata was tested against growth and virulence factors of V. harveyi during Penaeus monodon larviculture. Further U. fasciata extract was subjected to GC-MS analysis to identify the biomolecules. The homology modeling of virulent protein, hemolysin of V. harveyi was designed in this study. Hence, it was aimed for molecular docking against the biomolecules identified from U. fasciata extract. During shrimp larviculture, the extract of U. fasciata (200 μg mL) exhibited reduction on Cumulative Percentage of Mortality (32.40%) in postlarvae against challenge of V. harveyi infection. Biomolecule Methyl dehydroabietate had showed highest binding affinity among the compounds was evaluated in molecular docking study. Statistical analysis had revealed significant differences (p < 0.05) in trials. Therefore, it was proved that the bio-inhibitors from U. fasciata will be a better option for controlling luminescence disease-causing V. harveyi in shrimp grow-out practices.

摘要

虾的养殖和孵化系统受到细菌性疾病(尤其是弧菌)的影响。在水产养殖实践中使用化学治疗剂会导致水生细菌产生耐药性。因此,健康管理在水产养殖中变得尤为重要。在这种情况下,从海洋资源中开发生物抑制剂是对抗致病性细菌的最恰当选择。分子对接是结构生物学和计算机辅助药物设计中的一种合适工具,可用于预测和中和已知疾病的靶蛋白。在这项研究中,以印度泰米尔纳德邦的托塔库迪(Thoothukudi)采集的大型海藻石莼(Ulva fasciata)为目标,开发针对发光病致病性细菌哈维弧菌(Vibrio harveyi)的抑制剂。在对斑节对虾幼虫进行养殖时,测试了 U. fasciata 的提取物对 V. harveyi 的生长和毒力因子的影响。进一步对 U. fasciata 提取物进行 GC-MS 分析以鉴定生物分子。本研究设计了哈维弧菌毒力蛋白溶血素的同源建模,因此,旨在针对从 U. fasciata 提取物中鉴定出的生物分子进行分子对接。在虾幼虫养殖期间,U. fasciata 提取物(200μg/mL)在幼虫后期对 V. harveyi 感染的累积死亡率(32.40%)表现出降低作用。在分子对接研究中,评估了化合物中具有最高结合亲和力的生物分子甲基脱氢枞酸。统计分析显示试验之间存在显著差异(p<0.05)。因此,证明 U. fasciata 的生物抑制剂将是控制虾养殖中发光病致病弧菌的更好选择。

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