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1995 (2)
1Author    V. Kettmann, J. SivýRequires cookie*
 Title    A Receptor Interaction Model for Phenylcarbamate Local Anesthetics  
 Abstract    We report here a molecular modeling study of selected conformationally constrained phenylcarbamate local anesthetics in relation to the available pharmacological data that enabled us to develop a receptor-interaction model for this class of drugs. The validity of the model was confirmed on other semirigid analogues prepared for this study. The results suggest that the phenyl ring is most likely involved in a stacking interaction with a complementary receptor site and the tertiary ammonium group is capable of both hydrogen bonding and lipophilic interactions. 
  Reference    Z. Naturforsch. 50c, 708—714 (1995); received May 22/June 17 1995 
  Published    1995 
  Keywords    Local Anesthetics, Phenylcarbamates, Molecular Modeling, Receptor Model 
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 TEI-XML for    default:Reihe_C/50/ZNC-1995-50c-0708.pdf 
 Identifier    ZNC-1995-50c-0708 
 Volume    50 
2Author    Joachim Bruckmann, Carl Krüger, Frank LutzRequires cookie*
 Title    Systematic Structural Investigations on Phosphines  
 Abstract    This work contributes to the systematic investigation of phosphines. In an attem pt to deter­ mine the nature, shape, volume and direction of the lone pairs at the phosphorus atoms in phosphines, high resolution X-ray structure analyses of triphenylphosphine, tris(p-methoxy-phenyl)phosphine, bis(2,4,6-triisopropylphenyl)phosphine, 1,1 -bis(diphenylphosphino)ethene and 4,5,6-triphenyl-4-phosphaspiro[2.4]hept-5-en have been carried out. New valence force field param eters (TRIPOS force field) are presented which were developed on the basis of the molecular structures of the free phosphines. The results of crystal growing experiments using zone melting techniques are summarized. 
  Reference    Z. Naturforsch. 50b, 351—360 (1995); received Septem ber 20 1994 
  Published    1995 
  Keywords    Phosphines, Molecular Modeling, Crystal Growing, High Resolution X-Ray Analysis 
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 TEI-XML for    default:Reihe_B/50/ZNB-1995-50b-0351.pdf 
 Identifier    ZNB-1995-50b-0351 
 Volume    50