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Volumn 20, Issue 21, 2010, Pages 6268-6272

Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors

Author keywords

Hypertension; Indole; Renin inhibitors; Structure based design; X ray crystallography

Indexed keywords

AMIDE; INDOLE 3 CARBOXAMIDE DERIVATIVE; RENIN INHIBITOR; UNCLASSIFIED DRUG;

EID: 77957875612     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2010.08.092     Document Type: Article
Times cited : (39)

References (29)
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    • Steinhagen, H.; Scheiper, B.; Matter, H.; Stilz, H. U.; McCort, G. PCT Int. Appl., WO 2009095163, 2009
    • Steinhagen, H.; Scheiper, B.; Matter, H.; Stilz, H. U.; McCort, G. PCT Int. Appl., WO 2009095163, 2009.
  • 13
    • 77957883599 scopus 로고    scopus 로고
    • Lattrell, R.; Bartmann, W.; Kaiser, J. DE 2557341, 1977
    • Lattrell, R.; Bartmann, W.; Kaiser, J. DE 2557341, 1977.
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    • 77957882783 scopus 로고    scopus 로고
    • Lattrell, R.; Bartmann, W.; Kaiser, J. U.S. 4148895, 1979
    • Lattrell, R.; Bartmann, W.; Kaiser, J. U.S. 4148895, 1979.
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    • The renin-ligand complexes for compounds 2a, 2m and 5k were prepared by soaking using renin apo-crystals crystallized in hanging drops from conditions described by Lim et al. J. Mol. Biol. 1989, 210, 239. Data were collected at beam-line ID 14-3 of the European Synchrotron Radiation Facility (ESRF) in Grenoble or in house. The data were processed with hkl2000 (Otwinowski, Z.; Minor, W. In Carter, C. W., Jr.; Sweet, R. M., Eds.; Methods Enzymol.; 1997, 276, 307.). The crystal diffracted to 2.9 (2a), 2.75 (2m) and 2.5 (5k) Å. The space group was P213 in all cases. The inhibitor was fitted using Quanta (Accelrys, 1986-2010) and refined using Refmac (Murshudov, G. N.; Vagin, A. A.; Dodson, E. J. Acta Cryst. 1997, D53, 240.) and Buster 2.9.5 (Global Phasing 2010). The coordinates for the complexes were deposited in the Brookhaven protein database (PDB: 3OOT, 3OQK, 3OQF)
    • The renin-ligand complexes for compounds 2a, 2m and 5k were prepared by soaking using renin apo-crystals crystallized in hanging drops from conditions described by Lim et al. J. Mol. Biol. 1989, 210, 239. Data were collected at beam-line ID 14-3 of the European Synchrotron Radiation Facility (ESRF) in Grenoble or in house. The data were processed with hkl2000 (Otwinowski, Z.; Minor, W. In Carter, C. W., Jr.; Sweet, R. M., Eds.; Methods Enzymol.; 1997, 276, 307.). The crystal diffracted to 2.9 (2a), 2.75 (2m) and 2.5 (5k). The space group was P213 in all cases. The inhibitor was fitted using Quanta (Accelrys, 1986-2010) and refined using Refmac (Murshudov, G. N.; Vagin, A. A.; Dodson, E. J. Acta Cryst. 1997, D53, 240.) and Buster 2.9.5 (Global Phasing 2010). The coordinates for the complexes were deposited in the Brookhaven protein database (PDB: 3OOT, 3OQK, 3OQF).
  • 22
    • 77957869826 scopus 로고    scopus 로고
    • 8
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.