Small molecular compounds screened by the three-dimensional structure of target protein sterol 14α-demethylase and their application in the preparation of fungicides

A technology of small molecular compounds and protein sterols, which is applied in the directions of fungicides, applications, biocides, etc., can solve the problems of drug residues, harm, killing non-target organisms, etc., and achieves good inhibitory activity, environmental friendliness, and good inhibitory activity.

Active Publication Date: 2019-09-17
QINGDAO AGRI UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

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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  • Small molecular compounds screened by the three-dimensional structure of target protein sterol 14α-demethylase and their application in the preparation of fungicides
  • Small molecular compounds screened by the three-dimensional structure of target protein sterol 14α-demethylase and their application in the preparation of fungicides
  • Small molecular compounds screened by the three-dimensional structure of target protein sterol 14α-demethylase and their application in the preparation of fungicides

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Embodiment 1

[0019] The present invention screened and synthesized a small molecule compound (( 1R,5S)-3-((3-Phenyl-1,2,4-oxadiazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methyl Pyrido[1,2-a][1,5]diazepine-8(2H)-one hydrochloride.

[0020] ((1R,5S)-3-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5 The English name of -pyrido[1,2-a][1,5]diazepine-8(2H)-one hydrochloride is: (1R,5S)-3-((3-phenyl- 1,2,4-oxadiazol-5-y1)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H) -one hydrochloride; molecular formula: C 20 h 21 ClN 4 o 2 (STOCK2S-80122), molecular weight: 384.864, structural formula as follows:

[0021]

[0022] ((1R,5S)-3-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5 The synthetic process of -pyrido[1,2-a][1,5]diazepine-8(2H)-one hydrochloride is as follows:

[0023]

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Abstract

The invention discloses a small-molecule compound screened by a target protein sterol 14alpha-demethylase three-dimensional structure and application thereof in preparation of bactericide. The small-molecule compound is ((1R,5S)-3-((3-phenyl-1,2,4-oxadiazole-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methylpyridino[1,2-a][1,5]diazacycloxin-8(2H)-ketone hydrochloride. The invention proves that the small-molecule compound has good inhibitory activity on fusarium graminearum, a main plant pathogenic fungus causing wheat scab, and also has good inhibitory activity on botrytis cinerea causing fruit andvegetable gray mold and physalospora piricola causing apple ring rot through indoor drug sensitivity measurement. According to the invention, for the first time, a green small-molecule compound namely ((1R,5S)-3-((3-phenyl-1,2,4-oxadiazole-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methylpyridino[1,2-a][1,5]diazacycloxin-8(2H)-ketone hydrochloride is screened by a target protein three-dimensional structure and is applied to prevention and control of plant diseases, and the market application prospect is wide.

Description

technical field [0001] The invention belongs to the technical field of plant protection, and specifically relates to a small molecular compound screened by the three-dimensional structure of target protein sterol 14α-demethylase and its application in the preparation of fungicides. Background technique [0002] According to the estimates of the Food and Agriculture Organization of the United Nations (FAO), the crop yield loss caused by diseases, insect pests and weeds in the world is as high as about 40% (440-550 billion yuan), and the impact on trees is even more difficult to estimate. For a long time, the use of chemical agents has been the main means of preventing and 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, pollutes the ecological environment, and eventually causes harm to the human body through bioaccumulation. In order ...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): C07D471/18A01N43/90A01P3/00
Inventor 黄金光迟梦宇赵彦翔郝双红杜鹃
Owner QINGDAO AGRI UNIV
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