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Volumn 18, Issue 3, 1999, Pages 236-244

A quantum chemical study of the 5-aminomethinimino-3-methylisoxazole-4-carboxylic acid phenylamides - A new lead structure in the immunosuppressing agents

Author keywords

Atomic charges; HOMO; Immunosuppressing agents; Isoxazoles; Quantum chemistry

Indexed keywords

AMIDES; ATOMS; BIOACTIVITY; CHLORINE;

EID: 0032854216     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3838(199907)18:3<236::AID-QSAR236>3.0.CO;2-O     Document Type: Article
Times cited : (3)

References (14)
  • 1
    • 0032311436 scopus 로고    scopus 로고
    • Synthesis, immunomodulating effects and structure-activity relationships of new N-phenyl-5-amino-3-methylisoxazole-4-carboxamides
    • Ryng, S., Machoñ, Z., Wieczorek, Z., Zimecki, M. and Mokrosz, M.J., Synthesis, immunomodulating effects and structure-activity relationships of new N-phenyl-5-amino-3-methylisoxazole-4-carboxamides. Eur. J. Med. Chem. 33, 831 (1998).
    • (1998) Eur. J. Med. Chem. , vol.33 , pp. 831
    • Ryng, S.1    Machoñ, Z.2    Wieczorek, Z.3    Zimecki, M.4    Mokrosz, M.J.5
  • 2
    • 0030725364 scopus 로고    scopus 로고
    • Synthesis and structure elucidation of 5-aminomethinimino-3-methyl-4-isoxazolecarboxylic acid phenylamides and their immunological activity
    • Ryng, S., Machoñ, Z., Wieczorek, Z., Zimecki, M. and Glowiak, T., Synthesis and structure elucidation of 5-aminomethinimino-3-methyl-4-isoxazolecarboxylic acid phenylamides and their immunological activity. Arch. Pharm. Pharm. Med. Chem. 330, 319 (1997).
    • (1997) Arch. Pharm. Pharm. Med. Chem. , vol.330 , pp. 319
    • Ryng, S.1    Machoñ, Z.2    Wieczorek, Z.3    Zimecki, M.4    Glowiak, T.5
  • 3
    • 0040579770 scopus 로고    scopus 로고
    • The isoxazole heterocyclic system: Synthesis of the new model structure in the immunomodulating agents
    • Ryng, S. and Głowiak, T., The isoxazole heterocyclic system: Synthesis of the new model structure in the immunomodulating agents. J. Chem. Crystallogr. 28(5), 373 (1998).
    • (1998) J. Chem. Crystallogr. , vol.28 , Issue.5 , pp. 373
    • Ryng, S.1    Głowiak, T.2
  • 4
    • 77956762704 scopus 로고
    • Electronic molecular structure reactivity and intermolecular forces: A heuristic interpretation by means of electrostatic molecular potentials
    • Scrocco, E. and Tomasi, J., Electronic molecular structure reactivity and intermolecular forces: A heuristic interpretation by means of electrostatic molecular potentials. Adv. Quantum Chem. 11, 115 (1978).
    • (1978) Adv. Quantum Chem. , vol.11 , pp. 115
    • Scrocco, E.1    Tomasi, J.2
  • 5
    • 77956805398 scopus 로고
    • Point-charges models for molecules derived from Least-square fitting of the electric potentials
    • Williams, D.E. and Van, J.M., Point-charges models for molecules derived from Least-square fitting of the electric potentials. Adv. Atomic Mol. Phys. 23, 87 (1988).
    • (1988) Adv. Atomic Mol. Phys. , vol.23 , pp. 87
    • Williams, D.E.1    Van, J.M.2
  • 6
    • 0014125320 scopus 로고
    • Immunization of dissociated spleen cell cultures from normal mice
    • Mishell, R.I. and Dutton R., Immunization of dissociated spleen cell cultures from normal mice. J. Exp. Med. 126, 426 (1967).
    • (1967) J. Exp. Med. , vol.126 , pp. 426
    • Mishell, R.I.1    Dutton, R.2
  • 7
    • 0015966187 scopus 로고
    • Influence of dose and route of antigen injection on the immunological induction of T cells
    • Lagrange P.H.; Mackeness G.B.; Miller T.E. and Pardon P., Influence of dose and route of antigen injection on the immunological induction of T cells. J. Exp. Med. 139, 528 (1974).
    • (1974) J. Exp. Med. , vol.139 , pp. 528
    • Lagrange, P.H.1    Mackeness, G.B.2    Miller, T.E.3    Pardon, P.4
  • 9
    • 0842341771 scopus 로고
    • AM1: A new General purpose quantum mechanical molecular model
    • Devar, M.J.S., Zoebish, E.G. and Healy, E.F., AM1: A new General purpose quantum mechanical molecular model J. Am. Chem. Soc. 107, 3902 (1985).
    • (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902
    • Devar, M.J.S.1    Zoebish, E.G.2    Healy, E.F.3
  • 10
    • 0039658527 scopus 로고
    • Semiempirical (AMI) and ab initio calculations of 2-X-adenine( X = F. Cl, H) and β-D-1-amino-2,3-didehydro-1,2,3-trideoxyribofuranose
    • Grana, A.N., Pereiras, A.J. and Rios, M.A., Semiempirical (AMI) and ab initio calculations of 2-X-adenine( X = F. Cl, H) and β-D-1-amino-2,3-didehydro-1,2,3-trideoxyribofuranose. J. Mol Struct. 280, 211 (1993).
    • (1993) J. Mol Struct. , vol.280 , pp. 211
    • Grana, A.N.1    Pereiras, A.J.2    Rios, M.A.3
  • 11
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. The role of exact exchange
    • Becke, A.D., Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98, 5648 (1993).
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 12
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • Lee C., Yang W. And Parr, R.G., Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Review B. 37, 785, (1988).
    • (1988) Phys. Review B. , vol.37 , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 13
    • 84986492477 scopus 로고
    • Atomic charges derived from semiempirical methods
    • Besler, B.H, Merz Jr, K.M. and Kollman, P.A., Atomic charges derived from semiempirical methods. J. Comp. Chem. 11, 431 (1990).
    • (1990) J. Comp. Chem. , vol.11 , pp. 431
    • Besler, B.H.1    Merz K.M., Jr.2    Kollman, P.A.3
  • 14
    • 3343010964 scopus 로고
    • Intramolecular hydrogen bonding of malondialdehyde and its monothio and dithio analogues studied by the PM3 method
    • Buemi G., Intramolecular hydrogen bonding of malondialdehyde and its monothio and dithio analogues studied by the PM3 method. J. Mol. Struct. (Theochem), 208, 253, (1990).
    • (1990) J. Mol. Struct. (Theochem) , vol.208 , pp. 253
    • Buemi, G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.