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Synthesis, nematocidal activity and docking study of novel chiral 1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives
A novel series of chiral fluorinated pyrazole carboxamides derivatives were designed and synthesized. The nematocidal activity was determined. Some of them exhibited good activity. Structure–activity relationship was carried out by docking. [Display omitted] A series of novel chiral fluorinated pyra...
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| Published in: | Bioorganic & medicinal chemistry letters 2016-08, Vol.26 (15), p.3626-3628 |
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| Main Authors: | , , , , , , , |
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| cited_by | cdi_FETCH-LOGICAL-c356t-fec9f3c75b2920b9dcde4f5c6fb527202e94192a535872106c2dbcfe38efd6c43 |
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| cites | cdi_FETCH-LOGICAL-c356t-fec9f3c75b2920b9dcde4f5c6fb527202e94192a535872106c2dbcfe38efd6c43 |
| container_end_page | 3628 |
| container_issue | 15 |
| container_start_page | 3626 |
| container_title | Bioorganic & medicinal chemistry letters |
| container_volume | 26 |
| creator | Liu, Xing-Hai Zhao, Wen Shen, Zhong-Hua Xing, Jia-Hua Yuan, Jing Yang, Guo Xu, Tian-Ming Peng, Wei-Li |
| description | A novel series of chiral fluorinated pyrazole carboxamides derivatives were designed and synthesized. The nematocidal activity was determined. Some of them exhibited good activity. Structure–activity relationship was carried out by docking. [Display omitted]
A series of novel chiral fluorinated pyrazole carboxamides derivatives were designed and synthesized. All these title compounds were confirmed by NMR and MS. The primarily nematocidal activity results indicated that some of them exhibited good control efficacy against the tomato root-knot nematode disease caused by Meloidogyne incognita. The docking results indicated that compound 5n interact with amino acid residue Tyr 121, Trp 279 of AchE via hydrogen bond. |
| doi_str_mv | 10.1016/j.bmcl.2016.06.004 |
| format | article |
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A series of novel chiral fluorinated pyrazole carboxamides derivatives were designed and synthesized. All these title compounds were confirmed by NMR and MS. The primarily nematocidal activity results indicated that some of them exhibited good control efficacy against the tomato root-knot nematode disease caused by Meloidogyne incognita. The docking results indicated that compound 5n interact with amino acid residue Tyr 121, Trp 279 of AchE via hydrogen bond.</description><identifier>ISSN: 0960-894X</identifier><identifier>EISSN: 1464-3405</identifier><identifier>DOI: 10.1016/j.bmcl.2016.06.004</identifier><identifier>PMID: 27301365</identifier><language>eng</language><publisher>England: Elsevier Ltd</publisher><subject>Animals ; Antinematodal Agents - chemical synthesis ; Antinematodal Agents - chemistry ; Antinematodal Agents - pharmacology ; Chiral chain ; Docking ; Dose-Response Relationship, Drug ; Molecular Docking Simulation ; Molecular Structure ; Nematocidal activity ; Pyrazoles - chemical synthesis ; Pyrazoles - chemistry ; Pyrazoles - pharmacology ; Structure-Activity Relationship ; Synthesis ; Trifluoromethylpyrazole ; Tylenchoidea - drug effects</subject><ispartof>Bioorganic & medicinal chemistry letters, 2016-08, Vol.26 (15), p.3626-3628</ispartof><rights>2016 Elsevier Ltd</rights><rights>Copyright © 2016 Elsevier Ltd. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c356t-fec9f3c75b2920b9dcde4f5c6fb527202e94192a535872106c2dbcfe38efd6c43</citedby><cites>FETCH-LOGICAL-c356t-fec9f3c75b2920b9dcde4f5c6fb527202e94192a535872106c2dbcfe38efd6c43</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/27301365$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Liu, Xing-Hai</creatorcontrib><creatorcontrib>Zhao, Wen</creatorcontrib><creatorcontrib>Shen, Zhong-Hua</creatorcontrib><creatorcontrib>Xing, Jia-Hua</creatorcontrib><creatorcontrib>Yuan, Jing</creatorcontrib><creatorcontrib>Yang, Guo</creatorcontrib><creatorcontrib>Xu, Tian-Ming</creatorcontrib><creatorcontrib>Peng, Wei-Li</creatorcontrib><title>Synthesis, nematocidal activity and docking study of novel chiral 1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives</title><title>Bioorganic & medicinal chemistry letters</title><addtitle>Bioorg Med Chem Lett</addtitle><description>A novel series of chiral fluorinated pyrazole carboxamides derivatives were designed and synthesized. The nematocidal activity was determined. Some of them exhibited good activity. Structure–activity relationship was carried out by docking. [Display omitted]
A series of novel chiral fluorinated pyrazole carboxamides derivatives were designed and synthesized. All these title compounds were confirmed by NMR and MS. The primarily nematocidal activity results indicated that some of them exhibited good control efficacy against the tomato root-knot nematode disease caused by Meloidogyne incognita. The docking results indicated that compound 5n interact with amino acid residue Tyr 121, Trp 279 of AchE via hydrogen bond.</description><subject>Animals</subject><subject>Antinematodal Agents - chemical synthesis</subject><subject>Antinematodal Agents - chemistry</subject><subject>Antinematodal Agents - pharmacology</subject><subject>Chiral chain</subject><subject>Docking</subject><subject>Dose-Response Relationship, Drug</subject><subject>Molecular Docking Simulation</subject><subject>Molecular Structure</subject><subject>Nematocidal activity</subject><subject>Pyrazoles - chemical synthesis</subject><subject>Pyrazoles - chemistry</subject><subject>Pyrazoles - pharmacology</subject><subject>Structure-Activity Relationship</subject><subject>Synthesis</subject><subject>Trifluoromethylpyrazole</subject><subject>Tylenchoidea - drug effects</subject><issn>0960-894X</issn><issn>1464-3405</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNp9kU2LFDEQhhtR3NnVP-BB-jiCGfPZH-BlWdQVFjyo4C2kk4qTMd0Zk_Rg-zv8wZtmVo9CQRWpp95Q9VbVC4J3BJPmzWE3jNrvaKl3uATmj6oN4Q1HjGPxuNrgvsGo6_m3i-oypQPGhGPOn1YXtGWYsEZsqj-flynvIbn0up5gVDloZ5Svlc7u5PJSq8nUJugfbvpepzybpQ62nsIJfK33LhaUoC1Deu9DDMclOuMmRNHiXyGGtjk66-fSGSHv1zdyiwqkfgcPiCOt4hB-qdEZqA1Ed1LlV0jPqidW-QTPH_JV9fX9uy83t-ju04ePN9d3SDPRZGRB95bpVgy0p3jojTbArdCNHQRtKabQc9JTJZjoWkpwo6kZtAXWgTWN5uyq2p51jzH8nCFlObqkwXs1QZiTJB0WbdOKjhWUnlEdQ0oRrDxGN6q4SILl6oY8yNUNubohcQm86r980J-HEcy_kb_nL8DbMwBly5ODKJN2MGkwLoLO0gT3P_17nJqdvg</recordid><startdate>20160801</startdate><enddate>20160801</enddate><creator>Liu, Xing-Hai</creator><creator>Zhao, Wen</creator><creator>Shen, Zhong-Hua</creator><creator>Xing, Jia-Hua</creator><creator>Yuan, Jing</creator><creator>Yang, Guo</creator><creator>Xu, Tian-Ming</creator><creator>Peng, Wei-Li</creator><general>Elsevier Ltd</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20160801</creationdate><title>Synthesis, nematocidal activity and docking study of novel chiral 1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives</title><author>Liu, Xing-Hai ; Zhao, Wen ; Shen, Zhong-Hua ; Xing, Jia-Hua ; Yuan, Jing ; Yang, Guo ; Xu, Tian-Ming ; Peng, Wei-Li</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c356t-fec9f3c75b2920b9dcde4f5c6fb527202e94192a535872106c2dbcfe38efd6c43</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Animals</topic><topic>Antinematodal Agents - chemical synthesis</topic><topic>Antinematodal Agents - chemistry</topic><topic>Antinematodal Agents - pharmacology</topic><topic>Chiral chain</topic><topic>Docking</topic><topic>Dose-Response Relationship, Drug</topic><topic>Molecular Docking Simulation</topic><topic>Molecular Structure</topic><topic>Nematocidal activity</topic><topic>Pyrazoles - chemical synthesis</topic><topic>Pyrazoles - chemistry</topic><topic>Pyrazoles - pharmacology</topic><topic>Structure-Activity Relationship</topic><topic>Synthesis</topic><topic>Trifluoromethylpyrazole</topic><topic>Tylenchoidea - drug effects</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Liu, Xing-Hai</creatorcontrib><creatorcontrib>Zhao, Wen</creatorcontrib><creatorcontrib>Shen, Zhong-Hua</creatorcontrib><creatorcontrib>Xing, Jia-Hua</creatorcontrib><creatorcontrib>Yuan, Jing</creatorcontrib><creatorcontrib>Yang, Guo</creatorcontrib><creatorcontrib>Xu, Tian-Ming</creatorcontrib><creatorcontrib>Peng, Wei-Li</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Bioorganic & medicinal chemistry letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Liu, Xing-Hai</au><au>Zhao, Wen</au><au>Shen, Zhong-Hua</au><au>Xing, Jia-Hua</au><au>Yuan, Jing</au><au>Yang, Guo</au><au>Xu, Tian-Ming</au><au>Peng, Wei-Li</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Synthesis, nematocidal activity and docking study of novel chiral 1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives</atitle><jtitle>Bioorganic & medicinal chemistry letters</jtitle><addtitle>Bioorg Med Chem Lett</addtitle><date>2016-08-01</date><risdate>2016</risdate><volume>26</volume><issue>15</issue><spage>3626</spage><epage>3628</epage><pages>3626-3628</pages><issn>0960-894X</issn><eissn>1464-3405</eissn><abstract>A novel series of chiral fluorinated pyrazole carboxamides derivatives were designed and synthesized. The nematocidal activity was determined. Some of them exhibited good activity. Structure–activity relationship was carried out by docking. [Display omitted]
A series of novel chiral fluorinated pyrazole carboxamides derivatives were designed and synthesized. All these title compounds were confirmed by NMR and MS. The primarily nematocidal activity results indicated that some of them exhibited good control efficacy against the tomato root-knot nematode disease caused by Meloidogyne incognita. The docking results indicated that compound 5n interact with amino acid residue Tyr 121, Trp 279 of AchE via hydrogen bond.</abstract><cop>England</cop><pub>Elsevier Ltd</pub><pmid>27301365</pmid><doi>10.1016/j.bmcl.2016.06.004</doi><tpages>3</tpages></addata></record> |
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| ispartof | Bioorganic & medicinal chemistry letters, 2016-08, Vol.26 (15), p.3626-3628 |
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| source | ScienceDirect Freedom Collection |
| subjects | Animals Antinematodal Agents - chemical synthesis Antinematodal Agents - chemistry Antinematodal Agents - pharmacology Chiral chain Docking Dose-Response Relationship, Drug Molecular Docking Simulation Molecular Structure Nematocidal activity Pyrazoles - chemical synthesis Pyrazoles - chemistry Pyrazoles - pharmacology Structure-Activity Relationship Synthesis Trifluoromethylpyrazole Tylenchoidea - drug effects |
| title | Synthesis, nematocidal activity and docking study of novel chiral 1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives |
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