Compound screened by target protein sterol 14alpha-demethylase three-dimensional structure, and application thereof in preparation of bactericide

A protein sterol, demethylase technology, applied in the directions of fungicides, applications, biocides, etc., can solve problems such as harm, drug residues, killing non-target organisms, etc., and achieve broad market application prospects, good inhibitory activity, good inhibition active effect

Active Publication Date: 2018-12-18
QINGDAO AGRI UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

The long-term use of large quantities of chemical pesticides not only leads to resistance problems, but also causes pesticide residues, kills non-target organisms, pollutes the ecological environment, and eventually causes harm to the human body through bioaccumulation

Method used

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  • Compound screened by target protein sterol 14alpha-demethylase three-dimensional structure, and application thereof in preparation of bactericide
  • Compound screened by target protein sterol 14alpha-demethylase three-dimensional structure, and application thereof in preparation of bactericide
  • Compound screened by target protein sterol 14alpha-demethylase three-dimensional structure, and application thereof in preparation of bactericide

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Embodiment 1

[0020] In the InterBioScreen database (https: / / www.ibscreen.com / ), the present invention screened and synthesized small molecular compounds based on the three-dimensional structure design of Fusarium graminearum CYP51B protein (sterol 14α-demethylase (CYP51)) [1 -(3-Chlorobenzoyl)piperidin-4-yl]azepane.

[0021] The English of 1-[1-(3-chlorobenzoyl)piperidin-4-yl]azepane is: 1-[[1-(3-CHLOROBENZOYL)PIPERIDIN-4-YL]AZEPANE, molecular formula: C 18 h 26 ClN 2 o + , molecular weight: 321.869, the structural formula is as follows:

[0022]

[0023] The synthetic process of 1-[1-(3-chlorobenzoyl)piperidin-4-yl]azepane is as follows:

[0024] first step:

[0025]

[0026] Step two:

[0027]

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Abstract

The invention discloses a compound screened by a target protein sterol 14alpha-demethylase three-dimensional structure, and an application thereof in the preparation of a bactericide. A result of indoor drug sensitivity measurement proves that the screened compound 1-[1-(3-chlorobenzoyl)piperidine-4-yl]azacycloheptane has a good inhibition activity on a main plant pathogen fungus Fusarium graminearum causing wheat scab diseases, and also has a good inhibition activity on Botrytis cinerea causing fruit and vegetable gray molds and Botryosphaeria berengriana causing apple ring rot. The application of the green small-molecule compound 1-[1-(3-chlorobenzoyl)piperidine-4-yl]azacycloheptane screened by the target protein three-dimensional structure in the prevention and control of plant diseasesis provided for the first time, so the compound has a broad market application prospect.

Description

technical field [0001] The invention belongs to the technical field of plant protection, and specifically relates to a compound screened by the three-dimensional structure of target protein sterol 14α-demethylase and its application in the preparation of fungicides. Background technique [0002] The Food and Agriculture Organization of the United Nations (FAO) estimates that the loss of crop production in the world is about 40% (440-550 billion yuan) due to damage from diseases, insect pests and weeds, and the impact on trees is even more difficult to estimate. The losses recovered through the work of scientists and various technology extension personnel engaged in pest research all over the world reached 300-400 billion yuan. For a long time, chemical control has been the main means of controlling plant diseases. The long-term use of large quantities of chemical pesticides not only leads to resistance problems, but also causes pesticide residues, kills non-target organisms...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): C07D211/58A01N43/46A01P3/00
CPCA01N43/46C07D211/58
Inventor 黄金光迟梦宇赵彦翔郝双红杜鹃
Owner QINGDAO AGRI UNIV
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