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The seventeen endogeneous steroids from human urine were simultaneously analyzed by selected ion monitoring method of GC/MS. Urine samples were collected twenty-four hours from sixty-eight normal males, thirty-four normal females and eight normal children. Urinary steroids were extracted by using XAD-2 resin, hydrolyzed with -glucuronidase / arylsulfatase from Helix pormatia andquantitatively derivatized by N-methyl-N-trimethylheptafluorobutyramide / trimethylsilylimidazole / trimethylchlorosilane mixture in order to be detected on the GC / MS. The observed concentrations of seventeen endogeneous steroids in human urine were in the range of 0.01~300 g/ml. The ratio of their precursor and product metabolite of endogeneous steroids were shown in the range of 0.05~23.5. This study will be extended further to determine normal reference values for steroid in urine for Korean. Once normal reference values are obtained, the comparison data of the quantitative results of endogeneous steroids in human urine will be used as a part of diagnostic tool for endocrine diseases. (J Kor Soc Endoornol 6:238~255, 1991)
The enantiomers of amphetamine and methamphetamine were separated through conversion to the N-MTPA derivatives. Also levorphanol and dextrophan were separated by chiral phase column. The enantiomers of amphetamine and methamphetamine after oral administration of famprofazone were excreted at different rates under the influence of enzymes that were chiral three dimensional protein structures. In differentiating the use of medicines from direct use of illicit drugs, the evaluation of the enantiomeric composition of the compound was very valuable. This determination was assisted by determination of a unique metabolic product.
In order to investigate the structure-activity relationships of the stereoisomers of angiotensin converting enzyme inhibitors, captopril and its derivatives were selected as model compounds. In vitro enzymatic activities of them depend on the symmetry at the asymmetric carbons. Especially, the alanyl carbon should have the S configuration to be biologically active. But the demethylated captopril having the achiral carbon also shows the activity although it is less active than captopril. Seven stereoisomers of captopril and its derivatives were chosen and their acidic and ionic forms were used for molecular dynamics simulations. Four computer simulations were practiced for each model compound in order to obtain the good condition for simulation to explain the experimental structure-activity relationships. From the computer simulation results, relativistic movements of three well-known pharmacophoric sites, carboxylate carbon, carbonyl oxygen, and sulfur atoms, were analyzed. Good results were obtained from the aqueous solution molecular dynamics simulation with ionic forms of model compounds. Active model compounds have the pharmacophoric areas of 6.08 to 6.38 Å² and the similarity in the geometrical data. But inactive ones have the largely deviated values of 4.51 to 4.87Å² from those of active ones.