Synthesis, Biological Evaluation, Molecular Docking, ADME Predictions and QSAR Studies of Novel 1,2-Diazet and Pyrrole Derivatives as Anti-Inflammatory Agents
Here we synthesized novel 1, 2-diazet and pyrrole derivatives and screened for their anti-inflammatory activity. In vivo anti-inflammatory evaluation results revealed that compounds ( XVI ), ( XIV ) and ( XI ) exhibited the highest anti-inflammatory potencies all over the 4 hours, while compounds (...
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| Veröffentlicht in: | Russian journal of bioorganic chemistry 2021, Vol.47 (1), p.183-198 |
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| container_start_page | 183 |
| container_title | Russian journal of bioorganic chemistry |
| container_volume | 47 |
| creator | El-Serwy, Walaa S. El-Serwy, Weam S. Mohamed, Neama A. Kassem, Emad M. M. Mostafa, Rasha E. Mohamed, Hanaa S. |
| description | Here we synthesized novel 1, 2-diazet and pyrrole derivatives and screened for their anti-inflammatory activity. In vivo anti-inflammatory evaluation results revealed that compounds (
XVI
), (
XIV
) and (
XI
) exhibited the highest anti-inflammatory potencies all over the 4 hours, while compounds (
VII
), (
V
) and (
XV
) exhibited the lowest potencies when compared to indomethacin group. Molecular docking study was used to predict the binding mode towards c-Jun N-Terminal Kinase. In addition, ADME (absorption, distribution, metabolism, and excretion) prediction and QSAR (quantitative structure–activity relationship) study of compounds was carried out respectively. |
| doi_str_mv | 10.1134/S1068162021010040 |
| format | Article |
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XVI
), (
XIV
) and (
XI
) exhibited the highest anti-inflammatory potencies all over the 4 hours, while compounds (
VII
), (
V
) and (
XV
) exhibited the lowest potencies when compared to indomethacin group. Molecular docking study was used to predict the binding mode towards c-Jun N-Terminal Kinase. In addition, ADME (absorption, distribution, metabolism, and excretion) prediction and QSAR (quantitative structure–activity relationship) study of compounds was carried out respectively.</description><identifier>ISSN: 1068-1620</identifier><identifier>EISSN: 1608-330X</identifier><identifier>DOI: 10.1134/S1068162021010040</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Biochemistry ; Biomedical and Life Sciences ; Biomedicine ; Bioorganic Chemistry ; Chemical synthesis ; Kinases ; Life Sciences ; Molecular docking ; Organic Chemistry</subject><ispartof>Russian journal of bioorganic chemistry, 2021, Vol.47 (1), p.183-198</ispartof><rights>Pleiades Publishing, Ltd. 2021. ISSN 1068-1620, Russian Journal of Bioorganic Chemistry, 2021, Vol. 47, No. 1, pp. 183–198. © Pleiades Publishing, Ltd., 2021.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c316t-51c619717ae43fd0da8abba8a3c8b37eac4154345737d68429eeb9863f73ebf23</citedby><cites>FETCH-LOGICAL-c316t-51c619717ae43fd0da8abba8a3c8b37eac4154345737d68429eeb9863f73ebf23</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1134/S1068162021010040$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1134/S1068162021010040$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27924,27925,41488,42557,51319</link.rule.ids></links><search><creatorcontrib>El-Serwy, Walaa S.</creatorcontrib><creatorcontrib>El-Serwy, Weam S.</creatorcontrib><creatorcontrib>Mohamed, Neama A.</creatorcontrib><creatorcontrib>Kassem, Emad M. M.</creatorcontrib><creatorcontrib>Mostafa, Rasha E.</creatorcontrib><creatorcontrib>Mohamed, Hanaa S.</creatorcontrib><title>Synthesis, Biological Evaluation, Molecular Docking, ADME Predictions and QSAR Studies of Novel 1,2-Diazet and Pyrrole Derivatives as Anti-Inflammatory Agents</title><title>Russian journal of bioorganic chemistry</title><addtitle>Russ J Bioorg Chem</addtitle><description>Here we synthesized novel 1, 2-diazet and pyrrole derivatives and screened for their anti-inflammatory activity. In vivo anti-inflammatory evaluation results revealed that compounds (
XVI
), (
XIV
) and (
XI
) exhibited the highest anti-inflammatory potencies all over the 4 hours, while compounds (
VII
), (
V
) and (
XV
) exhibited the lowest potencies when compared to indomethacin group. Molecular docking study was used to predict the binding mode towards c-Jun N-Terminal Kinase. In addition, ADME (absorption, distribution, metabolism, and excretion) prediction and QSAR (quantitative structure–activity relationship) study of compounds was carried out respectively.</description><subject>Biochemistry</subject><subject>Biomedical and Life Sciences</subject><subject>Biomedicine</subject><subject>Bioorganic Chemistry</subject><subject>Chemical synthesis</subject><subject>Kinases</subject><subject>Life Sciences</subject><subject>Molecular docking</subject><subject>Organic Chemistry</subject><issn>1068-1620</issn><issn>1608-330X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp1kc1OwzAQhCMEEqXwANwscW3AjvPXY6AFKrVQCEjcIsfZFJfULrZTqTwMz4pDkTggLrsrzTczh_W8U4LPCaHhRU5wnJI4wAHBBOMQ73k9EuPUpxS_7LvbyX6nH3pHxixxB0Vpz_vMt9K-ghFmgC6FatRCcNag8YY1LbNCyQGaqQZ42zCNRoq_CbkYoGw0G6O5hkrwjjGIyQo95Nkjym1bCTBI1ehObaBBZBD4I8E-wH5D863WLg-NQIuNK9g4lhmUSSv8iawbtloxq_QWZQuQ1hx7BzVrDJz87L73fD1-urr1p_c3k6ts6nNKYutHhMdkmJCEQUjrClcsZWXpBuVpSRNgPCRRSMMooUkVp2EwBCiHaUzrhEJZB7Tvne1y11q9t2BssVStlq6yCCJMg2FCaeoosqO4VsZoqIu1FiumtwXBRfeG4s8bnCfYeYxj5QL0b_L_pi8S-Im_</recordid><startdate>2021</startdate><enddate>2021</enddate><creator>El-Serwy, Walaa S.</creator><creator>El-Serwy, Weam S.</creator><creator>Mohamed, Neama A.</creator><creator>Kassem, Emad M. M.</creator><creator>Mostafa, Rasha E.</creator><creator>Mohamed, Hanaa S.</creator><general>Pleiades Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>2021</creationdate><title>Synthesis, Biological Evaluation, Molecular Docking, ADME Predictions and QSAR Studies of Novel 1,2-Diazet and Pyrrole Derivatives as Anti-Inflammatory Agents</title><author>El-Serwy, Walaa S. ; El-Serwy, Weam S. ; Mohamed, Neama A. ; Kassem, Emad M. M. ; Mostafa, Rasha E. ; Mohamed, Hanaa S.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c316t-51c619717ae43fd0da8abba8a3c8b37eac4154345737d68429eeb9863f73ebf23</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Biochemistry</topic><topic>Biomedical and Life Sciences</topic><topic>Biomedicine</topic><topic>Bioorganic Chemistry</topic><topic>Chemical synthesis</topic><topic>Kinases</topic><topic>Life Sciences</topic><topic>Molecular docking</topic><topic>Organic Chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>El-Serwy, Walaa S.</creatorcontrib><creatorcontrib>El-Serwy, Weam S.</creatorcontrib><creatorcontrib>Mohamed, Neama A.</creatorcontrib><creatorcontrib>Kassem, Emad M. M.</creatorcontrib><creatorcontrib>Mostafa, Rasha E.</creatorcontrib><creatorcontrib>Mohamed, Hanaa S.</creatorcontrib><collection>CrossRef</collection><jtitle>Russian journal of bioorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>El-Serwy, Walaa S.</au><au>El-Serwy, Weam S.</au><au>Mohamed, Neama A.</au><au>Kassem, Emad M. M.</au><au>Mostafa, Rasha E.</au><au>Mohamed, Hanaa S.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Synthesis, Biological Evaluation, Molecular Docking, ADME Predictions and QSAR Studies of Novel 1,2-Diazet and Pyrrole Derivatives as Anti-Inflammatory Agents</atitle><jtitle>Russian journal of bioorganic chemistry</jtitle><stitle>Russ J Bioorg Chem</stitle><date>2021</date><risdate>2021</risdate><volume>47</volume><issue>1</issue><spage>183</spage><epage>198</epage><pages>183-198</pages><issn>1068-1620</issn><eissn>1608-330X</eissn><abstract>Here we synthesized novel 1, 2-diazet and pyrrole derivatives and screened for their anti-inflammatory activity. In vivo anti-inflammatory evaluation results revealed that compounds (
XVI
), (
XIV
) and (
XI
) exhibited the highest anti-inflammatory potencies all over the 4 hours, while compounds (
VII
), (
V
) and (
XV
) exhibited the lowest potencies when compared to indomethacin group. Molecular docking study was used to predict the binding mode towards c-Jun N-Terminal Kinase. In addition, ADME (absorption, distribution, metabolism, and excretion) prediction and QSAR (quantitative structure–activity relationship) study of compounds was carried out respectively.</abstract><cop>Moscow</cop><pub>Pleiades Publishing</pub><doi>10.1134/S1068162021010040</doi><tpages>16</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1068-1620 |
| ispartof | Russian journal of bioorganic chemistry, 2021, Vol.47 (1), p.183-198 |
| issn | 1068-1620 1608-330X |
| language | eng |
| recordid | cdi_proquest_journals_2503297338 |
| source | Springer Online Journals Complete |
| subjects | Biochemistry Biomedical and Life Sciences Biomedicine Bioorganic Chemistry Chemical synthesis Kinases Life Sciences Molecular docking Organic Chemistry |
| title | Synthesis, Biological Evaluation, Molecular Docking, ADME Predictions and QSAR Studies of Novel 1,2-Diazet and Pyrrole Derivatives as Anti-Inflammatory Agents |
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