Biological evaluation and molecular docking. studies of nitro benzamide derivatives with respect to in vitro anti-inflammatory activity

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dc.authoridTASKIN-TOK, Tugba/0000-0002-0064-8400
dc.authoridTumer, Tugba/0000-0002-1740-4867
dc.authoridAY, Mehmet/0000-0002-1095-1614
dc.authoridCelik, Ayhan/0000-0003-1355-9252
dc.authoridComert Onder, Ferah/0000-0002-4037-1979
dc.authoridGungor, Tugba/0000-0001-5261-1856
dc.contributor.authorTurner, Tugba B.
dc.contributor.authorOnder, Ferah Comert
dc.contributor.authorIpek, Hande
dc.contributor.authorGungor, Tugba
dc.contributor.authorSavranoglu, Seda
dc.contributor.authorTok, Tugba Taskin
dc.contributor.authorCelik, Ayhan
dc.date.accessioned2025-01-27T20:49:46Z
dc.date.available2025-01-27T20:49:46Z
dc.date.issued2017
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractA series of nitro substituted benzamide derivatives were synthesized and evaluated for their potential anti-inflammatory activities in vitro. Firstly, all compounds (1-6) were screened for their inhibitory capacity on LPS induced nitric oxide (NO) production in RAW264.7 macrophages. Compounds 5 and 6 demonstrated significantly high inhibition capacities in a dose-dependent manner with IC50 values of 3.7 and 53 mu M, respectively. These two compounds were also accompanied by no cytotoxicity at the studied concentrations (max 50 mu M) in macrophages. Molecular docking analysis on iNOS revealed that compounds 5 and 6 bind to the enzyme more efficiently compared to other compounds due to having optimum number of nitro groups, orientations and polarizabilities. In addition, 5 and 6 demonstrated distinct regulatory mechanisms for the expression of the iNOS enzyme at the mRNA and protein levels. Specifically, both suppressed expressions of COX-2, IL-1 beta and TNF-alpha significantly, at 10 and 20 mu M. However, only compound 6 significantly and considerably decreased LPS-induced secretion of IL-1 beta and TNF-alpha. These results suggest that compound 6 may be a multi-potent promising lead compound for further optimization in structure and as well as for in vivo validation studies. (C) 2016 Published by Elsevier B.V.
dc.description.sponsorshipScientific and Technological Research Council of Turkey in the scope of two different projects (TUBITAK) [110T754, 113Z706]; Canakkale Onsekiz Mart University, Scientific Research Project [FYL-2015-434]
dc.description.sponsorshipThis work was partially supported by the Scientific and Technological Research Council of Turkey in the scope of two different projects (TUBITAK, Project numbers: 110T754 and 113Z706). Studies related with bioactivity part were partially supported by Canakkale Onsekiz Mart University, Scientific Research Project (FYL-2015-434).
dc.identifier.doi10.1016/j.intimp.2016.12.009
dc.identifier.endpage139
dc.identifier.issn1567-5769
dc.identifier.issn1878-1705
dc.identifier.pmid27988460
dc.identifier.scopus2-s2.0-85006007454
dc.identifier.scopusqualityQ1
dc.identifier.startpage129
dc.identifier.urihttps://doi.org/10.1016/j.intimp.2016.12.009
dc.identifier.urihttps://hdl.handle.net/20.500.12428/25308
dc.identifier.volume43
dc.identifier.wosWOS:000393242800016
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofInternational Immunopharmacology
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectNitro substituted benzamides
dc.subjectAnti-inflammatory
dc.subjectNitric oxide
dc.subjectiNOS
dc.subjectMolecular docking
dc.titleBiological evaluation and molecular docking. studies of nitro benzamide derivatives with respect to in vitro anti-inflammatory activity
dc.typeArticle

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