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The α 1-adrenolytic and structural evaluation of new pyridoindole derivatives

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Májeková M., Šnirc V., Štolc S., Májek P., Bezáková Ž., Sotníková R.

Open Medicine

2006

vol. 1

issue 4

370-378

α1 - adrenolytic activities of pyridoindole derivatives recently synthesized in the Institute of Experimental Pharmacology, Slovak Academy of Sciences, were measured. A characteristic set of derivatives (five active, one with a threshold activity and two inactive) was chosen and an elementary structure-activity study was performed. The structure and energy properties were estimated by quantum-chemical semiempirical AM1 and molecular mechanics methods. The ionization constants pKα of the individual derivatives were calculated by program Pallas or estimated by potenciometric titration. The α 1 blocking activities were measured by rat thoracic aorta model. The experimental model used was not α 1 - adrenoreceptor subtypes specific, however, the α 1D subtype could be considered to be a predominant type in a rat aorta. The obtained physico-chemical parameters were then compared with the blocking activities of the derivatives and following determining characters for α 1 - adrenolytic activities were determined: 1) the polarity of the substituted phenol ring represented by a map of molecular electrostatic potential and 2) the hexahydro-pyridine nitrogen pKα constant, which represents the ability of the compound to be protonated by physiologic pH.

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1 Open Medicine

1 2006

1 Bezáková Ž.

1 Májek P.

1 Májeková M.

1 Sotníková R.

1 Šnirc V.

1 Štolc S.

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The α 1-adrenolytic and structural evaluation of new pyridoindole derivatives