The effect of the molecular properties of calcium channel blockers on their elimination route
2015
Autori
Trbojević-Stanković, JasnaOdović, Jadranka
Jelić, Ratomir
Nešić, Dejan M.
Stojimirović, Biljana
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
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).
Ključne reči:
Calcium channel blockers / lipophilicity / molecular weight / elimination route / nimodipineIzvor:
Archives of Biological Sciences, 2015, 67, 3, 801-806Izdavač:
- Srpsko biološko društvo, Beograd, i dr.
Finansiranje / projekti:
- Razvoj mikro- i nanosistema kao nosača za lekove sa antiinflamatornim delovanjem i metoda za njihovu karakterizaciju (RS-MESTD-Technological Development (TD or TR)-34031)
DOI: 10.2298/ABS150127039T
ISSN: 0354-4664
WoS: 000366794800005
Scopus: 2-s2.0-84950140507
Institucija/grupa
PharmacyTY - JOUR AU - Trbojević-Stanković, Jasna AU - Odović, Jadranka AU - Jelić, Ratomir AU - Nešić, Dejan M. AU - Stojimirović, Biljana PY - 2015 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2356 AB - 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. The best correlations were established after computed lipophilicity descriptor and molecular weight were applied (R-2 = 0.66 with acceptable probability value). PB - Srpsko biološko društvo, Beograd, i dr. T2 - Archives of Biological Sciences T1 - The effect of the molecular properties of calcium channel blockers on their elimination route VL - 67 IS - 3 SP - 801 EP - 806 DO - 10.2298/ABS150127039T ER -
@article{ author = "Trbojević-Stanković, Jasna and Odović, Jadranka and Jelić, Ratomir and Nešić, Dejan M. and Stojimirović, Biljana", year = "2015", 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. The best correlations were established after computed lipophilicity descriptor and molecular weight were applied (R-2 = 0.66 with acceptable probability value).", publisher = "Srpsko biološko društvo, Beograd, i dr.", journal = "Archives of Biological Sciences", title = "The effect of the molecular properties of calcium channel blockers on their elimination route", volume = "67", number = "3", pages = "801-806", doi = "10.2298/ABS150127039T" }
Trbojević-Stanković, J., Odović, J., Jelić, R., Nešić, D. M.,& Stojimirović, B.. (2015). The effect of the molecular properties of calcium channel blockers on their elimination route. in Archives of Biological Sciences Srpsko biološko društvo, Beograd, i dr.., 67(3), 801-806. https://doi.org/10.2298/ABS150127039T
Trbojević-Stanković J, Odović J, Jelić R, Nešić DM, Stojimirović B. The effect of the molecular properties of calcium channel blockers on their elimination route. in Archives of Biological Sciences. 2015;67(3):801-806. doi:10.2298/ABS150127039T .
Trbojević-Stanković, Jasna, Odović, Jadranka, Jelić, Ratomir, Nešić, Dejan M., Stojimirović, Biljana, "The effect of the molecular properties of calcium channel blockers on their elimination route" in Archives of Biological Sciences, 67, no. 3 (2015):801-806, https://doi.org/10.2298/ABS150127039T . .