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@ARTICLE{apkauskait:166504,
      author       = {Čapkauskaitė, Edita and Zubrienė, Asta and Smirnov,
                      Alexey and Torresan, Jolanta and Kišonaitė, Miglė and
                      Kazokaitė, Justina and Gylytė, Joana and Michailovienė,
                      Vilma and Jogaitė, Vaida and Manakova, Elena and Gražulis,
                      Saulius and Tumkevičius, Sigitas and Matulis, Daumantas},
      title        = {{B}enzenesulfonamides with pyrimidine moiety as inhibitors
                      of human carbonic anhydrases {I}, {II}, {VI}, {VII}, {XII},
                      and {XIII}},
      journal      = {Bioorganic $\&$ medicinal chemistry},
      volume       = {21},
      number       = {22},
      issn         = {0968-0896},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier},
      reportid     = {DESY-2014-01386},
      pages        = {6937 - 6947},
      year         = {2013},
      note         = {© Elsevier Ltd. ; Post referee fulltext in progress;
                      Embargo 12 months from publication},
      abstract     = {Two groups of benzenesulfonamide derivatives, bearing
                      pyrimidine moieties, were designed and synthesized as
                      inhibitors of carbonic anhydrases (CA). Their binding
                      affinities to six recombinant human CA isoforms I, II, VI,
                      VII, XII, and XIII were determined by the thermal shift
                      assay (TSA). The binding of several inhibitors was measured
                      by isothermal titration calorimetry (ITC). Direct
                      demonstration of compound inhibition was achieved by
                      determining the inhibition constant by stopped-flow CO2
                      hydration assay. The most potent compounds demonstrated
                      selectivity towards isoform I and affinities of 0.5nM. The
                      crystal structures of selected compounds in complex with CA
                      II, XII, and XIII were determined to atomic resolution.
                      Compounds described here were compared with previously
                      published pyrimidinebenzenesulfonamides.(1) Systematic
                      structure-activity analysis of 40 compound interactions with
                      six isoforms yields clues for the design of compounds with
                      greater affinities and selectivities towards target CA
                      isoforms.},
      cin          = {EMBL-User},
      ddc          = {540},
      cid          = {I:(DE-H253)EMBL-User-20120814},
      pnm          = {PETRA Beamline P14 (POF2-54G14) / DORIS Beamline K1.1
                      (POF2-54G13)},
      pid          = {G:(DE-H253)POF2-P14-20130405 /
                      G:(DE-H253)POF2-K1.1-20130405},
      experiment   = {EXP:(DE-H253)P-P14-20150101 / EXP:(DE-H253)D-K1.1-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000325759800009},
      pubmed       = {pmid:24103428},
      doi          = {10.1016/j.bmc.2013.09.029},
      url          = {https://bib-pubdb1.desy.de/record/166504},
}