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The effect of the molecular properties of calcium channel blockers on their elimination route

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2015
2354.pdf (479.5Kb)
Authors
Trbojević-Stanković, Jasna
Odović, Jadranka
Jelić, Ratomir
Nešić, Dejan M.
Stojimirović, Biljana
Article (Published version)
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Abstract
Calcium channel blockers (CCBs) are among the most widely used drugs in cardiovascular medicine. In this study, nine CCBs (amlodipine, felodipine, isradipine, nicardipine, nifedipine, nimodipine, nisoldipine, verapamil and diltiazem) were investigated to assess the relationship between their molecular properties and elimination data obtained from literature. The descriptors of the molecular properties of CCBs were calculated using three software packages. The relationship between computed molecular properties and elimination data collected from relevant literature, initially investigated with simple linear regression analysis, showed poor correlation (R-2 lt 0.25). Application of molecular weight or volume data as additional independent variable, multiple linear regression (MLR) revealed better correlations (R-2 similar to 0.38) between CCB renal and fecal elimination data and their lipophilicity. Excluding nimodipine from the calculations resulted in more acceptable correlations. Th...e best correlations were established after computed lipophilicity descriptor and molecular weight were applied (R-2 = 0.66 with acceptable probability value).

Keywords:
Calcium channel blockers / lipophilicity / molecular weight / elimination route / nimodipine
Source:
Archives of Biological Sciences, 2015, 67, 3, 801-806
Publisher:
  • Srpsko biološko društvo, Beograd, i dr.
Projects:
  • Development of micro- and nanosystems as carriers for drugs with anti-inflammatory effect and methods for their characterization (RS-34031)

DOI: 10.2298/ABS150127039T

ISSN: 0354-4664

WoS: 000366794800005

Scopus: 2-s2.0-84950140507
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URI
http://farfar.pharmacy.bg.ac.rs/handle/123456789/2356
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Institution
Pharmacy

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