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Synthesis, antifungal activity and QSAR of some novel carboxylic acid amides.
Du, Shijie; Lu, Huizhe; Yang, Dongyan; Li, Hong; Gu, Xilin; Wan, Chuan; Jia, Changqing; Wang, Mian; Li, Xiuyun; Qin, Zhaohai.
Affiliation
  • Du S; Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. dsj5216@163.com.
  • Lu H; Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. luhz@cau.edu.cn.
  • Yang D; Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. yangdy@cau.edu.cn.
  • Li H; Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. lihong129106@163.com.
  • Gu X; Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. david9351@126.com.
  • Wan C; Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. wanchuan2011@163.com.
  • Jia C; Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. cauchangqing@gmail.com.
  • Wang M; Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. woookooo@cau.edu.cn.
  • Li X; Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. lixiuyun0115@163.com.
  • Qin Z; Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. qinzhaohai@263.net.
Molecules ; 20(3): 4071-87, 2015 Mar 04.
Article in En | MEDLINE | ID: mdl-25749678
ABSTRACT
A series of novel aromatic carboxylic acid amides were synthesized and tested for their activities against six phytopathogenic fungi by an in vitro mycelia growth inhibition assay. Most of them displayed moderate to good activity. Among them N-(2-(1H-indazol-1-yl)phenyl)-2-(trifluoromethyl)benzamide (3c) exhibited the highest antifungal activity against Pythium aphanidermatum (EC50 = 16.75 µg/mL) and Rhizoctonia solani (EC50 = 19.19 µg/mL), compared to the reference compound boscalid with EC50 values of 10.68 and 14.47 µg/mL, respectively. Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were employed to develop a three-dimensional quantitative structure-activity relationship model for the activity of the compounds. In the molecular docking, a fluorine atom and the carbonyl oxygen atom of 3c formed hydrogen bonds toward the hydroxyl hydrogens of TYR58 and TRP173.
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Pythium / Rhizoctonia / Benzamides / Mycelium / Amides / Indazoles / Antifungal Agents Language: En Journal: Molecules Journal subject: BIOLOGIA Year: 2015 Type: Article Affiliation country: China
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Pythium / Rhizoctonia / Benzamides / Mycelium / Amides / Indazoles / Antifungal Agents Language: En Journal: Molecules Journal subject: BIOLOGIA Year: 2015 Type: Article Affiliation country: China