利用分子相似性指数法构建酚酸类物质抑制铜绿微囊藻的剂量效应关系

何娟, 李敏, 周梅, 马璐, 王雅遥, 闫兴富. 利用分子相似性指数法构建酚酸类物质抑制铜绿微囊藻的剂量效应关系[J]. 生态毒理学报, 2022, 17(5): 401-408. doi: 10.7524/AJE.1673-5897.20210518001
引用本文: 何娟, 李敏, 周梅, 马璐, 王雅遥, 闫兴富. 利用分子相似性指数法构建酚酸类物质抑制铜绿微囊藻的剂量效应关系[J]. 生态毒理学报, 2022, 17(5): 401-408. doi: 10.7524/AJE.1673-5897.20210518001
He Juan, Li Min, Zhou Mei, Ma Lu, Wang Yayao, Yan Xingfu. Dose-effect of Phenolic Acids to Microcystis aeruginosa by Comparative Molecular Similarity Index Analysis[J]. Asian journal of ecotoxicology, 2022, 17(5): 401-408. doi: 10.7524/AJE.1673-5897.20210518001
Citation: He Juan, Li Min, Zhou Mei, Ma Lu, Wang Yayao, Yan Xingfu. Dose-effect of Phenolic Acids to Microcystis aeruginosa by Comparative Molecular Similarity Index Analysis[J]. Asian journal of ecotoxicology, 2022, 17(5): 401-408. doi: 10.7524/AJE.1673-5897.20210518001

利用分子相似性指数法构建酚酸类物质抑制铜绿微囊藻的剂量效应关系

    作者简介: 何娟(2000-),女,学士,研究方向为污染物的环境健康风险筛查,E-mail:hj20001272022@163.com
    通讯作者: 李敏, E-mail: limin_nx@nmu.edu.cn
  • 基金项目:

    国家级大学生创新创业训练计划项目(G202111407012);宁夏回族自治区自然科学基金资助项目(2020AAC03256)

  • 中图分类号: X171.5

Dose-effect of Phenolic Acids to Microcystis aeruginosa by Comparative Molecular Similarity Index Analysis

    Corresponding author: Li Min, limin_nx@nmu.edu.cn
  • Fund Project:
  • 摘要: 为揭示酚酸类化感物质对铜绿微囊藻的化感调控作用,研究了20种常见酚酸对铜绿微囊藻生长和繁殖的剂量效应,并运用比较分子相似性指数法(comparative molecular similarity index,CoMSIA)进行构效关系研究。结果发现,酚酸化合物对铜绿微囊藻化感抑制作用的半数效应浓度(EC50)范围为4.90~194.59 mg·L-1;CoMSIA结果表明,运用静电场和H键供体场能较好解释该类化合物对铜绿微囊藻的化感抑制特征,减小苯环1位取代基的负电性、增加苯环3或4位取代基的H键供体性能,有利于提高酚酸类化合物的化感抑藻活性。
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  • 收稿日期:  2021-05-18
何娟, 李敏, 周梅, 马璐, 王雅遥, 闫兴富. 利用分子相似性指数法构建酚酸类物质抑制铜绿微囊藻的剂量效应关系[J]. 生态毒理学报, 2022, 17(5): 401-408. doi: 10.7524/AJE.1673-5897.20210518001
引用本文: 何娟, 李敏, 周梅, 马璐, 王雅遥, 闫兴富. 利用分子相似性指数法构建酚酸类物质抑制铜绿微囊藻的剂量效应关系[J]. 生态毒理学报, 2022, 17(5): 401-408. doi: 10.7524/AJE.1673-5897.20210518001
He Juan, Li Min, Zhou Mei, Ma Lu, Wang Yayao, Yan Xingfu. Dose-effect of Phenolic Acids to Microcystis aeruginosa by Comparative Molecular Similarity Index Analysis[J]. Asian journal of ecotoxicology, 2022, 17(5): 401-408. doi: 10.7524/AJE.1673-5897.20210518001
Citation: He Juan, Li Min, Zhou Mei, Ma Lu, Wang Yayao, Yan Xingfu. Dose-effect of Phenolic Acids to Microcystis aeruginosa by Comparative Molecular Similarity Index Analysis[J]. Asian journal of ecotoxicology, 2022, 17(5): 401-408. doi: 10.7524/AJE.1673-5897.20210518001

利用分子相似性指数法构建酚酸类物质抑制铜绿微囊藻的剂量效应关系

    通讯作者: 李敏, E-mail: limin_nx@nmu.edu.cn
    作者简介: 何娟(2000-),女,学士,研究方向为污染物的环境健康风险筛查,E-mail:hj20001272022@163.com
  • 1. 北方民族大学生物科学与工程学院, 银川 750021;
  • 2. 国家民委黄河流域农牧交错区生态保护重点实验室, 银川 750021
基金项目:

国家级大学生创新创业训练计划项目(G202111407012);宁夏回族自治区自然科学基金资助项目(2020AAC03256)

摘要: 为揭示酚酸类化感物质对铜绿微囊藻的化感调控作用,研究了20种常见酚酸对铜绿微囊藻生长和繁殖的剂量效应,并运用比较分子相似性指数法(comparative molecular similarity index,CoMSIA)进行构效关系研究。结果发现,酚酸化合物对铜绿微囊藻化感抑制作用的半数效应浓度(EC50)范围为4.90~194.59 mg·L-1;CoMSIA结果表明,运用静电场和H键供体场能较好解释该类化合物对铜绿微囊藻的化感抑制特征,减小苯环1位取代基的负电性、增加苯环3或4位取代基的H键供体性能,有利于提高酚酸类化合物的化感抑藻活性。

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