{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,14]],"date-time":"2026-05-14T14:39:49Z","timestamp":1778769589229,"version":"3.51.4"},"reference-count":67,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2017,11,20]],"date-time":"2017-11-20T00:00:00Z","timestamp":1511136000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J of Cellular Biochemistry"],"published-print":{"date-parts":[[2018,3]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:sec><jats:label\/><jats:p>Drug resistant<jats:italic>S. typhimurium<\/jats:italic>pose important public health problem. The development of effective drugs with novel mechanism(s) of action is needed to overcome issues pertaining to drug resistance. Drug repurposing based on computational analyses is considered a viable alternative strategy to circumvent this issue. In this context, 1309 FDA\u2010approved drugs molecules from Mantra 2.0 database were analyzed for this study, against<jats:italic>S. typhimurium<\/jats:italic>. Sixteen compounds having similar profiles of gene expression as quinolones were identified from the database, Mantra 2.0. Further, the pharmacophore characteristics of each resultant molecule were identified and compared with the features of nalidixic acid, using the PharamGist program. Subsequently, the activities of these compounds against<jats:italic>S. typhimurium<\/jats:italic>DNA gyrase were identified, using molecular docking study. Side effects analysis was also performed for the identified compounds. Molecular dynamics simulation was carried out for the compound to validate its binding efficiency. Further, characterization of screened compound revealed IC50 values in micromolar concentration range, of which flufenamic acid showed comparable in vitro activity alongside ciprofloxacin and nalidixic acid. Thus represent interesting starting points for further optimization against<jats:italic>S. typhimurium<\/jats:italic>infections. It may be noted that the results we have obtained are the first experimental evidence of flufenamic acid activity against<jats:italic>S. typhimurium<\/jats:italic>.<\/jats:p><\/jats:sec>","DOI":"10.1002\/jcb.26457","type":"journal-article","created":{"date-parts":[[2017,10,23]],"date-time":"2017-10-23T13:28:40Z","timestamp":1508765320000},"page":"2818-2831","source":"Crossref","is-referenced-by-count":4,"title":["Drug repurposing: An approach to tackle drug resistance in<i>S. typhimurium<\/i>"],"prefix":"10.1002","volume":"119","author":[{"given":"Preethi","family":"Balasundaram","sequence":"first","affiliation":[{"name":"Department of Biotechnology School of Bio Sciences and Technology VIT University Tamil Nadu India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shanthi","family":"Veerappapillai","sequence":"additional","affiliation":[{"name":"Department of Biotechnology School of Bio Sciences and Technology VIT University Tamil Nadu India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Suthindhiran","family":"Krishnamurthy","sequence":"additional","affiliation":[{"name":"Department of Bio\u2010Medical Sciences School of Bio Sciences and Technology VIT University Tamil Nadu India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1613-0729","authenticated-orcid":false,"given":"Ramanathan","family":"Karuppasamy","sequence":"additional","affiliation":[{"name":"Department of Biotechnology School of Bio Sciences and Technology VIT University Tamil Nadu India"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2017,11,20]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1128\/CMR.00066-12"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1086\/650733"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1093\/clinids\/12.5.873"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1093\/jac\/dkg207"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1994.1586"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1046\/j.1469-0691.2000.00058-3.x"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1017\/S0950268801005143"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.tim.2014.04.007"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1093\/jac\/41.6.635"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bjid.2012.11.012"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1038\/nrd3078"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.coi.2013.08.004"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1038\/nrd1468"},{"key":"e_1_2_9_15_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1169920"},{"key":"e_1_2_9_16_1","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMoa1114287"},{"key":"e_1_2_9_17_1","doi-asserted-by":"publisher","DOI":"10.1161\/CIRCULATIONAHA.114.010403"},{"key":"e_1_2_9_18_1","doi-asserted-by":"publisher","DOI":"10.1038\/nrd4675"},{"key":"e_1_2_9_19_1","doi-asserted-by":"publisher","DOI":"10.3389\/fmicb.2015.00282"},{"key":"e_1_2_9_20_1","doi-asserted-by":"publisher","DOI":"10.12688\/f1000research.6110.2"},{"key":"e_1_2_9_21_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2013.11.005"},{"key":"e_1_2_9_22_1","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbr028"},{"key":"e_1_2_9_23_1","doi-asserted-by":"publisher","DOI":"10.1158\/0008-5472.CAN-11-2333"},{"key":"e_1_2_9_24_1","doi-asserted-by":"publisher","DOI":"10.1101\/gad.241984.114"},{"key":"e_1_2_9_25_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0011338"},{"key":"e_1_2_9_26_1","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-33"},{"key":"e_1_2_9_27_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btu058"},{"key":"e_1_2_9_28_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.36.6.1219"},{"key":"e_1_2_9_29_1","doi-asserted-by":"publisher","DOI":"10.1101\/gr.1239303"},{"key":"e_1_2_9_30_1","doi-asserted-by":"publisher","DOI":"10.1002\/cpbi.3"},{"key":"e_1_2_9_31_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkh435"},{"key":"e_1_2_9_32_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.46.6.1805-1815.2002"},{"key":"e_1_2_9_33_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkt1208"},{"key":"e_1_2_9_34_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20084"},{"key":"e_1_2_9_35_1","doi-asserted-by":"publisher","DOI":"10.1107\/S0907444910007493"},{"key":"e_1_2_9_36_1","first-page":"385","article-title":"Glossary of terms used in medicinal chemistry (IUPAC recommendations 1997)","volume":"33","author":"Wermuth CG","year":"1997","journal-title":"Annu Rep Prog Chem"},{"key":"e_1_2_9_37_1","doi-asserted-by":"publisher","DOI":"10.2174\/0929867043456287"},{"key":"e_1_2_9_38_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"e_1_2_9_39_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bts395"},{"key":"e_1_2_9_40_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2014.12.001"},{"key":"e_1_2_9_41_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp984217f"},{"key":"e_1_2_9_42_1","doi-asserted-by":"publisher","DOI":"10.1007\/s008940100045"},{"key":"e_1_2_9_43_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.1078"},{"key":"e_1_2_9_44_1","doi-asserted-by":"publisher","DOI":"10.1107\/S0907444904011679"},{"key":"e_1_2_9_45_1","doi-asserted-by":"publisher","DOI":"10.1038\/nprot.2007.521"},{"key":"e_1_2_9_46_1","volume-title":"Methods for dilution antimicrobial susceptibility tests for bacteria that grow aerobically; Approved Standard \u2212 Sixth Edition, M7\u2010A6","year":"2003"},{"key":"e_1_2_9_47_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00249-015-1073-2"},{"key":"e_1_2_9_48_1","doi-asserted-by":"publisher","DOI":"10.1093\/jac\/37.2.351"},{"key":"e_1_2_9_49_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0126560"},{"key":"e_1_2_9_50_1","doi-asserted-by":"publisher","DOI":"10.4269\/ajtmh.1994.51.219"},{"key":"e_1_2_9_51_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkn187"},{"key":"e_1_2_9_52_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.46.6.2052-2053.2002"},{"key":"e_1_2_9_53_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.48.10.4012-4015.2004"},{"key":"e_1_2_9_54_1","first-page":"746","article-title":"Induction of resistant mutants of Salmonella enterica serotype Typhi under ciprofloxacin selective pressure","volume":"139","author":"Dahiya S","year":"2014","journal-title":"Indian J Med Res"},{"key":"e_1_2_9_55_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M113.529164"},{"key":"e_1_2_9_56_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bts558"},{"key":"e_1_2_9_57_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv1075"},{"key":"e_1_2_9_58_1","doi-asserted-by":"publisher","DOI":"10.1038\/sj.ijir.3901043"},{"key":"e_1_2_9_59_1","doi-asserted-by":"crossref","first-page":"741","DOI":"10.4103\/0253-7613.89845","article-title":"Efficacy of amprolium and toltrazuril in chicken with subclinical infection of cecal coccidiosis","volume":"43","author":"Kandeel M","year":"2011","journal-title":"Indian J Pharmacol"},{"key":"e_1_2_9_60_1","doi-asserted-by":"publisher","DOI":"10.1097\/JCP.0b013e31826883c7"},{"key":"e_1_2_9_61_1","doi-asserted-by":"publisher","DOI":"10.1001\/archderm.1994.01690110049005"},{"key":"e_1_2_9_62_1","doi-asserted-by":"publisher","DOI":"10.2165\/00003495-198835020-00004"},{"key":"e_1_2_9_63_1","doi-asserted-by":"publisher","DOI":"10.1136\/ard.26.1.43"},{"key":"e_1_2_9_64_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.40.3.710"},{"key":"e_1_2_9_65_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.33.10.1816"},{"key":"e_1_2_9_66_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chembiol.2014.02.009"},{"key":"e_1_2_9_67_1","doi-asserted-by":"publisher","DOI":"10.1002\/dta.1744"},{"key":"e_1_2_9_68_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0147131"}],"container-title":["Journal of Cellular Biochemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjcb.26457","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcb.26457","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/jcb.26457","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcb.26457","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,6,27]],"date-time":"2024-06-27T23:03:17Z","timestamp":1719529397000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcb.26457"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,11,20]]},"references-count":67,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2018,3]]}},"alternative-id":["10.1002\/jcb.26457"],"URL":"https:\/\/doi.org\/10.1002\/jcb.26457","archive":["Portico"],"relation":{},"ISSN":["0730-2312","1097-4644"],"issn-type":[{"value":"0730-2312","type":"print"},{"value":"1097-4644","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017,11,20]]}}}