Crystal structure and molecular docking studies of 1,2,4,5-tetraaryl substituted imidazoles
2-(4-Bromophenyl)-1-(3-chloro-2-methylphenyl)- 4,5-diphenyl-1 -imidazole ( ) and 1-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-4,5-diphenyl-1 -imidazole ( ) were synthesized by one-pot four-component reactions. These compounds crystallize in the monoclinic crystal system with the space group . The...
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| Veröffentlicht in: | Heterocyclic communications 2018-08, Vol.24 (4), p.205-210 |
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| container_title | Heterocyclic communications |
| container_volume | 24 |
| creator | Sharma, Devinder Kumar Jayashree, Avvadukkam Narayana, Badiadka Sarojini, Balladka Kunhana Ravikumar, Chandrasekaran Murugavel, Saminathan Anthal, Sumati Kant, Rajni |
| description | 2-(4-Bromophenyl)-1-(3-chloro-2-methylphenyl)- 4,5-diphenyl-1
-imidazole (
) and 1-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-4,5-diphenyl-1
-imidazole (
) were synthesized by one-pot four-component reactions. These compounds crystallize in the monoclinic crystal system with the space group
. The crystal structures were solved by direct methods and refined by a full matrix least squares procedure to a final R value of 0.0572 (
) and 0.0588 (
) for 2748 and 2278 observed reflections, respectively. Molecular docking studies were implemented to understand the inhibitory activity of related compounds against glucosamine 6-phosphate (GlcN-6-P) synthase, the target protein for the antimicrobial agents. |
| doi_str_mv | 10.1515/hc-2017-0165 |
| format | Article |
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-imidazole (
) and 1-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-4,5-diphenyl-1
-imidazole (
) were synthesized by one-pot four-component reactions. These compounds crystallize in the monoclinic crystal system with the space group
. The crystal structures were solved by direct methods and refined by a full matrix least squares procedure to a final R value of 0.0572 (
) and 0.0588 (
) for 2748 and 2278 observed reflections, respectively. Molecular docking studies were implemented to understand the inhibitory activity of related compounds against glucosamine 6-phosphate (GlcN-6-P) synthase, the target protein for the antimicrobial agents.</description><identifier>ISSN: 0793-0283</identifier><identifier>EISSN: 2191-0197</identifier><identifier>DOI: 10.1515/hc-2017-0165</identifier><language>eng</language><publisher>Berlin: De Gruyter</publisher><subject>Chemical synthesis ; Crystal structure ; Imidazole ; Molecular docking ; Molecular structure ; multi-component ; Proteins ; single crystal ; X-ray diffraction</subject><ispartof>Heterocyclic communications, 2018-08, Vol.24 (4), p.205-210</ispartof><rights>Copyright Walter de Gruyter GmbH Aug 2018</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c271t-4b1fc27099777c57b84de9ed78028280f9fed6e289196aa010273a942f84d2613</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.degruyter.com/document/doi/10.1515/hc-2017-0165/pdf$$EPDF$$P50$$Gwalterdegruyter$$H</linktopdf><linktohtml>$$Uhttps://www.degruyter.com/document/doi/10.1515/hc-2017-0165/html$$EHTML$$P50$$Gwalterdegruyter$$H</linktohtml><link.rule.ids>314,776,780,27903,27904,66904,68688</link.rule.ids></links><search><creatorcontrib>Sharma, Devinder Kumar</creatorcontrib><creatorcontrib>Jayashree, Avvadukkam</creatorcontrib><creatorcontrib>Narayana, Badiadka</creatorcontrib><creatorcontrib>Sarojini, Balladka Kunhana</creatorcontrib><creatorcontrib>Ravikumar, Chandrasekaran</creatorcontrib><creatorcontrib>Murugavel, Saminathan</creatorcontrib><creatorcontrib>Anthal, Sumati</creatorcontrib><creatorcontrib>Kant, Rajni</creatorcontrib><title>Crystal structure and molecular docking studies of 1,2,4,5-tetraaryl substituted imidazoles</title><title>Heterocyclic communications</title><description>2-(4-Bromophenyl)-1-(3-chloro-2-methylphenyl)- 4,5-diphenyl-1
-imidazole (
) and 1-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-4,5-diphenyl-1
-imidazole (
) were synthesized by one-pot four-component reactions. These compounds crystallize in the monoclinic crystal system with the space group
. The crystal structures were solved by direct methods and refined by a full matrix least squares procedure to a final R value of 0.0572 (
) and 0.0588 (
) for 2748 and 2278 observed reflections, respectively. Molecular docking studies were implemented to understand the inhibitory activity of related compounds against glucosamine 6-phosphate (GlcN-6-P) synthase, the target protein for the antimicrobial agents.</description><subject>Chemical synthesis</subject><subject>Crystal structure</subject><subject>Imidazole</subject><subject>Molecular docking</subject><subject>Molecular structure</subject><subject>multi-component</subject><subject>Proteins</subject><subject>single crystal</subject><subject>X-ray diffraction</subject><issn>0793-0283</issn><issn>2191-0197</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><recordid>eNptkE1LAzEQhoMoWGpv_oAFr7s6k91sNt6k-AUFL3ryENIk227ddms-kPrrzVLBi3OZF-Z5Z4aXkEuEa2TIbta6oIC8AKzZCZlQFJi04KdkAlyUBdCmPCcz7zeQqhLIOEzI-9wdfFB95oOLOkRnM7Uz2XborY69cpkZ9Ee3W6V5NJ312dBmmNO8ylkRbHBKuUMyx6UPXYjBmqzbdkZ9J7-_IGet6r2d_fYpeXu4f50_FYuXx-f53aLQlGMoqiW2SYEQnHPN-LKpjBXW8Ca9TBtoRWtNbWkjUNRKAQLlpRIVbRNIayyn5Oq4d--Gz2h9kJshul06KSk0dcUQYKTyI6Xd4L2zrdy7bpvelwhyTFCutRwTlGOCCb894l-qD9YZu3LxkMTf7v9stKoosPIHPzF1Rg</recordid><startdate>20180801</startdate><enddate>20180801</enddate><creator>Sharma, Devinder Kumar</creator><creator>Jayashree, Avvadukkam</creator><creator>Narayana, Badiadka</creator><creator>Sarojini, Balladka Kunhana</creator><creator>Ravikumar, Chandrasekaran</creator><creator>Murugavel, Saminathan</creator><creator>Anthal, Sumati</creator><creator>Kant, Rajni</creator><general>De Gruyter</general><general>Walter de Gruyter GmbH</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20180801</creationdate><title>Crystal structure and molecular docking studies of 1,2,4,5-tetraaryl substituted imidazoles</title><author>Sharma, Devinder Kumar ; Jayashree, Avvadukkam ; Narayana, Badiadka ; Sarojini, Balladka Kunhana ; Ravikumar, Chandrasekaran ; Murugavel, Saminathan ; Anthal, Sumati ; Kant, Rajni</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c271t-4b1fc27099777c57b84de9ed78028280f9fed6e289196aa010273a942f84d2613</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Chemical synthesis</topic><topic>Crystal structure</topic><topic>Imidazole</topic><topic>Molecular docking</topic><topic>Molecular structure</topic><topic>multi-component</topic><topic>Proteins</topic><topic>single crystal</topic><topic>X-ray diffraction</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Sharma, Devinder Kumar</creatorcontrib><creatorcontrib>Jayashree, Avvadukkam</creatorcontrib><creatorcontrib>Narayana, Badiadka</creatorcontrib><creatorcontrib>Sarojini, Balladka Kunhana</creatorcontrib><creatorcontrib>Ravikumar, Chandrasekaran</creatorcontrib><creatorcontrib>Murugavel, Saminathan</creatorcontrib><creatorcontrib>Anthal, Sumati</creatorcontrib><creatorcontrib>Kant, Rajni</creatorcontrib><collection>CrossRef</collection><jtitle>Heterocyclic communications</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Sharma, Devinder Kumar</au><au>Jayashree, Avvadukkam</au><au>Narayana, Badiadka</au><au>Sarojini, Balladka Kunhana</au><au>Ravikumar, Chandrasekaran</au><au>Murugavel, Saminathan</au><au>Anthal, Sumati</au><au>Kant, Rajni</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Crystal structure and molecular docking studies of 1,2,4,5-tetraaryl substituted imidazoles</atitle><jtitle>Heterocyclic communications</jtitle><date>2018-08-01</date><risdate>2018</risdate><volume>24</volume><issue>4</issue><spage>205</spage><epage>210</epage><pages>205-210</pages><issn>0793-0283</issn><eissn>2191-0197</eissn><abstract>2-(4-Bromophenyl)-1-(3-chloro-2-methylphenyl)- 4,5-diphenyl-1
-imidazole (
) and 1-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-4,5-diphenyl-1
-imidazole (
) were synthesized by one-pot four-component reactions. These compounds crystallize in the monoclinic crystal system with the space group
. The crystal structures were solved by direct methods and refined by a full matrix least squares procedure to a final R value of 0.0572 (
) and 0.0588 (
) for 2748 and 2278 observed reflections, respectively. Molecular docking studies were implemented to understand the inhibitory activity of related compounds against glucosamine 6-phosphate (GlcN-6-P) synthase, the target protein for the antimicrobial agents.</abstract><cop>Berlin</cop><pub>De Gruyter</pub><doi>10.1515/hc-2017-0165</doi><tpages>6</tpages></addata></record> |
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| ispartof | Heterocyclic communications, 2018-08, Vol.24 (4), p.205-210 |
| issn | 0793-0283 2191-0197 |
| language | eng |
| recordid | cdi_proquest_journals_2086451001 |
| source | De Gruyter Open Access Journals; EZB-FREE-00999 freely available EZB journals |
| subjects | Chemical synthesis Crystal structure Imidazole Molecular docking Molecular structure multi-component Proteins single crystal X-ray diffraction |
| title | Crystal structure and molecular docking studies of 1,2,4,5-tetraaryl substituted imidazoles |
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