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| Home > Publications database > Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. > print |
| Home > Publications database > Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. > print |
| 001 | 140131 | ||
| 005 | 20250730162613.0 | ||
| 024 | 7 | _ | |a pmid:22440859 |2 pmid |
| 024 | 7 | _ | |a 10.1016/j.ejmech.2012.02.050 |2 doi |
| 024 | 7 | _ | |a 1768-3254 |2 ISSN |
| 024 | 7 | _ | |a 0223-5234 |2 ISSN |
| 024 | 7 | _ | |a WOS:000304291900026 |2 WOS |
| 024 | 7 | _ | |a WOS:000304291900026 |2 WOS |
| 024 | 7 | _ | |a altmetric:43407549 |2 altmetric |
| 024 | 7 | _ | |a openalex:W2028653887 |2 openalex |
| 037 | _ | _ | |a PHPPUBDB-24637 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 610 |
| 100 | 1 | _ | |a Capkauskaite, E. |
| 110 | 1 | _ | |a DESY |b European Molecular Biology Laboratory |
| 245 | _ | _ | |a Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. |
| 260 | _ | _ | |a Amsterdam [u.a.] |b Elsevier Science |c 2012 |
| 300 | _ | _ | |a 259-70 |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a article |2 DRIVER |
| 336 | 7 | _ | |a Journal Article |m journal |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
| 440 | _ | 0 | |a Eur. J. Med. Chem. |v 51 |x 0223-5234 |0 PERI:(DE-600)2005170-0 |
| 500 | _ | _ | |3 Converted on 2013-05-30 09:38 |
| 500 | _ | _ | |3 Converted on 2013-06-21 19:21 |
| 520 | _ | _ | |a A series of [(2-pyrimidinylthio)acetyl]benzenesulfonamides were designed and synthesized. Their binding affinities as inhibitors of several recombinant human carbonic anhydrase (CA) isozymes were determined by isothermal titration calorimetry (ITC) and thermal shift assay (TSA). A group of compounds containing a chlorine atom in the benzenesulfonamide ring were found to exhibit higher selectivity but lower binding affinity toward tested CAs. The crystal structures of selected compounds in complex with CA II were determined to atomic resolution. Docking studies were performed to compare the binding modes of experimentally determined crystallographic structures with computational prediction of the pyrimidine derivative binding to CA II. Several compounds bound to select CAs with single-digit nanomolar affinities and could be used as leads for inhibitor development toward a select CA isozyme. |
| 536 | _ | _ | |0 G:(DE-H253)POF2-No-Ref-20130405 |f POF II |x 0 |c POF2-544 |a FS Beamline without reference (POF2-544) |
| 588 | _ | _ | |a Dataset connected to Pubmed |
| 650 | _ | 2 | |2 MeSH |a Carbonic Anhydrase Inhibitors: chemical synthesis |
| 650 | _ | 2 | |2 MeSH |a Carbonic Anhydrase Inhibitors: chemistry |
| 650 | _ | 2 | |2 MeSH |a Carbonic Anhydrase Inhibitors: pharmacology |
| 650 | _ | 2 | |2 MeSH |a Carbonic Anhydrases: chemistry |
| 650 | _ | 2 | |2 MeSH |a Carbonic Anhydrases: metabolism |
| 650 | _ | 2 | |2 MeSH |a Catalytic Domain |
| 650 | _ | 2 | |2 MeSH |a Drug Design |
| 650 | _ | 2 | |2 MeSH |a Humans |
| 650 | _ | 2 | |2 MeSH |a Models, Molecular |
| 650 | _ | 2 | |2 MeSH |a Sulfonamides: chemical synthesis |
| 650 | _ | 2 | |2 MeSH |a Sulfonamides: chemistry |
| 650 | _ | 2 | |2 MeSH |a Sulfonamides: pharmacology |
| 650 | _ | 7 | |0 0 |2 NLM Chemicals |a Carbonic Anhydrase Inhibitors |
| 650 | _ | 7 | |0 0 |2 NLM Chemicals |a Sulfonamides |
| 650 | _ | 7 | |0 98-10-2 |2 NLM Chemicals |a benzenesulfonamide |
| 650 | _ | 7 | |0 EC 4.2.1.1 |2 NLM Chemicals |a Carbonic Anhydrases |
| 693 | _ | _ | |0 EXP:(DE-H253)Unknown-BL-20150101 |f Unknown DESY Beamline |x 0 |6 EXP:(DE-H253)Unknown-BL-20150101 |
| 700 | 1 | _ | |a Zubriene, A. |
| 700 | 1 | _ | |a Baranauskiene, L. |
| 700 | 1 | _ | |a Tamulaitiene, G. |
| 700 | 1 | _ | |a Manakova, E. |
| 700 | 1 | _ | |a Kairys, V. |
| 700 | 1 | _ | |a Grazulis, S. |
| 700 | 1 | _ | |a Tumkevicius, S. |
| 700 | 1 | _ | |a Matulis, D. |
| 773 | _ | _ | |0 PERI:(DE-600)2005170-0 |a 10.1016/j.ejmech.2012.02.050 |g Vol. 51, p. 259-70 |p 259-70 |q 51<259-70 |t European journal of medicinal chemistry |v 51 |x 0223-5234 |y 2012 |
| 909 | C | O | |o oai:bib-pubdb1.desy.de:140131 |p VDB |
| 910 | 1 | _ | |0 I:(DE-HGF)0 |a Externes Institut |k Extern |
| 913 | 1 | _ | |0 G:(DE-HGF)POF2-544 |1 G:(DE-HGF)POF2-540 |2 G:(DE-HGF)POF2-500 |9 G:(DE-H253)POF2-No-Ref-20130405 |b Struktur der Materie |v In-house Research with PNI |x 0 |a DE-H253 |4 G:(DE-HGF)POF |3 G:(DE-HGF)POF2 |l Forschung mit Photonen, Neutronen, Ionen |
| 914 | 1 | _ | |a (c) Elsevier. Code P. Bitte nach post-referee volltext fragen. |y 2012 |
| 915 | _ | _ | |a JCR/ISI refereed |0 StatID:(DE-HGF)0010 |
| 915 | _ | _ | |a Medline |0 StatID:(DE-HGF)0300 |2 StatID |
| 915 | _ | _ | |a No Author Disambiguation |0 StatID:(DE-HGF)1 |2 StatID |
| 920 | _ | 1 | |k HASYLAB |i Experiments with synchrotron radiation |
| 920 | 1 | _ | |0 I:(DE-H253)EMBL_-2012_-20130307 |k EMBL |l European Molecular Biology Laboratory |x 0 |
| 920 | _ | _ | |k 001 |
| 980 | _ | _ | |a PHPPUBDB |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a UNRESTRICTED |
| 980 | _ | _ | |a journal |
| 980 | _ | _ | |a I:(DE-H253)EMBL_-2012_-20130307 |
| 980 | _ | _ | |a ConvertedRecord |
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