메뉴 건너뛰기




Volumn 121, Issue 1-2, 2010, Pages 56-59

Ligand-dependent conformation change reflects steric structure and interactions of a vitamin D receptor/ligand complex: A fragment molecular orbital study

Author keywords

1 ,25 Dihydroxy 19 nor vitamin D3; Conformation changes; Fragment molecular orbital method; Receptor ligand interaction analysis

Indexed keywords

AMINO ACID; COLECALCIFEROL; ISOLEUCINE; LIGAND; VITAMIN D RECEPTOR; CALCITRIOL RECEPTOR; PROTEIN BINDING;

EID: 77954762856     PISSN: 09600760     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jsbmb.2010.03.024     Document Type: Article
Times cited : (7)

References (26)
  • 3
    • 0000170061 scopus 로고    scopus 로고
    • Pair interaction molecular orbital method: an approximate computational method for molecular interactions
    • Kitaura K., et al. Pair interaction molecular orbital method: an approximate computational method for molecular interactions. Chem. Phys. Lett. 1996, 312:319-324.
    • (1996) Chem. Phys. Lett. , vol.312 , pp. 319-324
    • Kitaura, K.1
  • 4
    • 0000721543 scopus 로고    scopus 로고
    • Fragment molecular orbital method: an approximate computational method for large molecule
    • Kitaura K., et al. Fragment molecular orbital method: an approximate computational method for large molecule. Chem. Phys. Lett. 1999, 313:701-706.
    • (1999) Chem. Phys. Lett. , vol.313 , pp. 701-706
    • Kitaura, K.1
  • 5
    • 0033963897 scopus 로고    scopus 로고
    • The crystal structure of the nuclear receptor for vitamin D bound to its natural ligand
    • Rochel N., Wurtz J.W., Mitschler A., Klaholz B., Moras D. The crystal structure of the nuclear receptor for vitamin D bound to its natural ligand. Mol. Cell. 2000, 5:173-179.
    • (2000) Mol. Cell. , vol.5 , pp. 173-179
    • Rochel, N.1    Wurtz, J.W.2    Mitschler, A.3    Klaholz, B.4    Moras, D.5
  • 7
    • 1842607351 scopus 로고    scopus 로고
    • Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modification
    • Tocchini-Valentini G., Rochel N., Wurtz J.M., Moras D. Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modification. J. Med. Chem. 2004, 47(8):1956-1961.
    • (2004) J. Med. Chem. , vol.47 , Issue.8 , pp. 1956-1961
    • Tocchini-Valentini, G.1    Rochel, N.2    Wurtz, J.M.3    Moras, D.4
  • 8
    • 47349130775 scopus 로고    scopus 로고
    • 3 analogues: synthesis, biological evaluation, and crystal structure
    • 3 analogues: synthesis, biological evaluation, and crystal structure. Bioorg. Med. Chem 2008, 16:6949-6964.
    • (2008) Bioorg. Med. Chem , vol.16 , pp. 6949-6964
    • DeLuca, H.F.1    Ikura, T.2    Ito, N.3
  • 10
    • 0036233034 scopus 로고    scopus 로고
    • Vitamin D analogue-specific recruitment of vitamin D receptor coactivaors
    • Issa L.L., Leong G.M., Shutherland R.L., Eisman J.A., et al. Vitamin D analogue-specific recruitment of vitamin D receptor coactivaors. J. Bone. Miner. Res. 2002, 17(5):879-890.
    • (2002) J. Bone. Miner. Res. , vol.17 , Issue.5 , pp. 879-890
    • Issa, L.L.1    Leong, G.M.2    Shutherland, R.L.3    Eisman, J.A.4
  • 13
    • 0028988403 scopus 로고
    • Structure-function relationships in the vitamin D endocrine system
    • Bouillon R., Okamura W.H., Norman A.W., et al. Structure-function relationships in the vitamin D endocrine system. Endocr. Rev. 1995, 16(2):200-257.
    • (1995) Endocr. Rev. , vol.16 , Issue.2 , pp. 200-257
    • Bouillon, R.1    Okamura, W.H.2    Norman, A.W.3
  • 14
    • 0031955392 scopus 로고    scopus 로고
    • Mechanisms and functions of vitamin D
    • DeLuca H.F., Zierold C., et al. Mechanisms and functions of vitamin D. Nutr. Rev. 1998, (56):54-75.
    • (1998) Nutr. Rev. , Issue.56 , pp. 54-75
    • DeLuca, H.F.1    Zierold, C.2
  • 15
    • 77954761638 scopus 로고    scopus 로고
    • Academic Press, New York, D. Feldman, F.H. Glorieux, J.W. Pike (Eds.)
    • Vitamin D 1997, 1213-1225. Academic Press, New York. D. Feldman, F.H. Glorieux, J.W. Pike (Eds.).
    • (1997) Vitamin D , pp. 1213-1225
  • 16
    • 11144282711 scopus 로고    scopus 로고
    • Ab initio quantum mechanical study of the binding energies of human estrogen receptor with its ligands: an application of fragment molecular orbital method
    • Fukuzawa K., Kitaura K., Uebayasi M., Nakata K., Kaminuma T., Nakano T. Ab initio quantum mechanical study of the binding energies of human estrogen receptor with its ligands: an application of fragment molecular orbital method. J. Comp. Chem. 2005, 26(1):1-10.
    • (2005) J. Comp. Chem. , vol.26 , Issue.1 , pp. 1-10
    • Fukuzawa, K.1    Kitaura, K.2    Uebayasi, M.3    Nakata, K.4    Kaminuma, T.5    Nakano, T.6
  • 17
    • 33748626264 scopus 로고    scopus 로고
    • Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method
    • Fukuzawa K., Mochizuki Y., Tanaka S., Kitaura K., Nakano T. Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method. J. Phys. Chem. B 2006, 110(32):16102-16110.
    • (2006) J. Phys. Chem. B , vol.110 , Issue.32 , pp. 16102-16110
    • Fukuzawa, K.1    Mochizuki, Y.2    Tanaka, S.3    Kitaura, K.4    Nakano, T.5
  • 18
    • 33846088944 scopus 로고    scopus 로고
    • Molecular interactions between estrogen receptor and its ligand studied by the ab Initio fragment molecular orbital method
    • Fukuzawa K., Mochizuki Y., Tanaka S., Kitaura K., Nakano T. Molecular interactions between estrogen receptor and its ligand studied by the ab Initio fragment molecular orbital method. J. Phys. Chem. B 2006, 110(47):24276.
    • (2006) J. Phys. Chem. B , vol.110 , Issue.47 , pp. 24276
    • Fukuzawa, K.1    Mochizuki, Y.2    Tanaka, S.3    Kitaura, K.4    Nakano, T.5
  • 19
    • 33144459383 scopus 로고    scopus 로고
    • Vitamin D receptor: ligand recognition and allosteric network
    • Yamamoto K., Yamada S., et al. Vitamin D receptor: ligand recognition and allosteric network. J. Med. Chem. 2006, 49:1313-1324.
    • (2006) J. Med. Chem. , vol.49 , pp. 1313-1324
    • Yamamoto, K.1    Yamada, S.2
  • 20
    • 33644689009 scopus 로고    scopus 로고
    • Functions of key residues in the ligand-binding pocket of vitamin D receptor: fragment molecular orbital-interfragment interaction energy analysis
    • Yamagishi K., Tokiwa H., et al. Functions of key residues in the ligand-binding pocket of vitamin D receptor: fragment molecular orbital-interfragment interaction energy analysis. Chem. Phys. Lett. 2006, 420:465-468.
    • (2006) Chem. Phys. Lett. , vol.420 , pp. 465-468
    • Yamagishi, K.1    Tokiwa, H.2
  • 21
    • 45849115476 scopus 로고    scopus 로고
    • Ab initio fragment molecular orbital study of ligand binding to human progesterone receptor ligand-binding domain
    • Harada T., Yamagishi K., Nakano T., Kitaura K., Tokiwa H. Ab initio fragment molecular orbital study of ligand binding to human progesterone receptor ligand-binding domain. Naunyn-Schmiedeberg's Arch. Pharmacol. 2008, 377:607-615.
    • (2008) Naunyn-Schmiedeberg's Arch. Pharmacol. , vol.377 , pp. 607-615
    • Harada, T.1    Yamagishi, K.2    Nakano, T.3    Kitaura, K.4    Tokiwa, H.5
  • 22
    • 77954759951 scopus 로고    scopus 로고
    • ViewerPro 4.2, Accelrys Inc., San Diego, CA
    • ViewerPro 4.2, Accelrys Inc., San Diego, CA, 2001.
    • (2001)
  • 23
    • 77954758613 scopus 로고    scopus 로고
    • Gaussian 03 Program, Gaussian, Inc., Wallingford, CT
    • M.J. Frisch et al., Gaussian 03 Program, Gaussian, Inc., Wallingford, CT, 2004.
    • (2004)
    • Frisch, M.J.1
  • 24
    • 77954761469 scopus 로고    scopus 로고
    • ABINIT-MP package is available from
    • ABINIT-MP package is available from: http://www.ciss.iis.u-tokyo.ac.jp/rss21/result/download/index.php.
  • 25
    • 0037351986 scopus 로고    scopus 로고
    • Interaction between vitamin D receptor and vitamin D ligands: two-dimentional alanine scanning mutational analysis
    • Choi M., Yamamoto K., et al. Interaction between vitamin D receptor and vitamin D ligands: two-dimentional alanine scanning mutational analysis. Chem. Biol. 2003, 10:261-270.
    • (2003) Chem. Biol. , vol.10 , pp. 261-270
    • Choi, M.1    Yamamoto, K.2
  • 26
    • 0029911510 scopus 로고    scopus 로고
    • The high affinity ligand binding conformation of the nuclear 1,25-dihydroxyvitamin D3 receptor is functionally linked to the transcription domain2 (AF-2)
    • Nayeri S., Kahlen J.P., Carlberg C., et al. The high affinity ligand binding conformation of the nuclear 1,25-dihydroxyvitamin D3 receptor is functionally linked to the transcription domain2 (AF-2). Nucleic Acids Res. 1996, 24(22):4513-4518.
    • (1996) Nucleic Acids Res. , vol.24 , Issue.22 , pp. 4513-4518
    • Nayeri, S.1    Kahlen, J.P.2    Carlberg, C.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.