Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists
2016
Autori
Trbojević, Jovana B.Odović, Jadranka
Trbojević-Stanković, Jasna
Nešić, Dejan M.
Jelić, Ratomir
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
In the present study, we investigated the relationships between several molecular properties and bioavailability data for seven of the most commonly prescribed angiotensin II receptor antagonists (also known as angiotensin II receptor blockers (ARBs) or sartans), candesartan, eprosartan, irbesartan, losartan, olmesartan, telmisartan and valsartan. The molecular descriptors of ARBs are:, aqueous solubility (logS values), polar surface area (PSA), molecular weight (Mw), volume value (Vol), lipophilicity (logP values) and the acidity descriptor (pK(a1)). The respective descriptors were calculated using four different software packages. The relevant bioavailability data were obtained from literature. Among calculated molecular descriptors, simple linear regression analysis showed the best correlation between bioavailability data and the lipophilicity descriptor, logP (R-2 = 0.568). Multiple linear regression established good correlations between bioavailability and the lipophilicity descri...ptor, logP, using the molecular weight, Mw, or the acidity descriptor, pK(a1), as an additional, independent variable (with R-2 = 0.661 and 0.682, respectively). Finally, excluding candesartan from the calculations resulted in a very good correlation (R-2 = 0.852) between the remaining ARB bioavailability and molecular descriptors MlogP and Mw as independent variables, determined by multiple linear regression.
Izvor:
Archives of Biological Sciences, 2016, 68, 2, 273-278Izdavač:
- 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/ABS150915015T
ISSN: 0354-4664
WoS: 000377883900003
Scopus: 2-s2.0-84970974472
Institucija/grupa
PharmacyTY - JOUR AU - Trbojević, Jovana B. AU - Odović, Jadranka AU - Trbojević-Stanković, Jasna AU - Nešić, Dejan M. AU - Jelić, Ratomir PY - 2016 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2536 AB - In the present study, we investigated the relationships between several molecular properties and bioavailability data for seven of the most commonly prescribed angiotensin II receptor antagonists (also known as angiotensin II receptor blockers (ARBs) or sartans), candesartan, eprosartan, irbesartan, losartan, olmesartan, telmisartan and valsartan. The molecular descriptors of ARBs are:, aqueous solubility (logS values), polar surface area (PSA), molecular weight (Mw), volume value (Vol), lipophilicity (logP values) and the acidity descriptor (pK(a1)). The respective descriptors were calculated using four different software packages. The relevant bioavailability data were obtained from literature. Among calculated molecular descriptors, simple linear regression analysis showed the best correlation between bioavailability data and the lipophilicity descriptor, logP (R-2 = 0.568). Multiple linear regression established good correlations between bioavailability and the lipophilicity descriptor, logP, using the molecular weight, Mw, or the acidity descriptor, pK(a1), as an additional, independent variable (with R-2 = 0.661 and 0.682, respectively). Finally, excluding candesartan from the calculations resulted in a very good correlation (R-2 = 0.852) between the remaining ARB bioavailability and molecular descriptors MlogP and Mw as independent variables, determined by multiple linear regression. PB - Srpsko biološko društvo, Beograd, i dr. T2 - Archives of Biological Sciences T1 - Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists VL - 68 IS - 2 SP - 273 EP - 278 DO - 10.2298/ABS150915015T ER -
@article{ author = "Trbojević, Jovana B. and Odović, Jadranka and Trbojević-Stanković, Jasna and Nešić, Dejan M. and Jelić, Ratomir", year = "2016", abstract = "In the present study, we investigated the relationships between several molecular properties and bioavailability data for seven of the most commonly prescribed angiotensin II receptor antagonists (also known as angiotensin II receptor blockers (ARBs) or sartans), candesartan, eprosartan, irbesartan, losartan, olmesartan, telmisartan and valsartan. The molecular descriptors of ARBs are:, aqueous solubility (logS values), polar surface area (PSA), molecular weight (Mw), volume value (Vol), lipophilicity (logP values) and the acidity descriptor (pK(a1)). The respective descriptors were calculated using four different software packages. The relevant bioavailability data were obtained from literature. Among calculated molecular descriptors, simple linear regression analysis showed the best correlation between bioavailability data and the lipophilicity descriptor, logP (R-2 = 0.568). Multiple linear regression established good correlations between bioavailability and the lipophilicity descriptor, logP, using the molecular weight, Mw, or the acidity descriptor, pK(a1), as an additional, independent variable (with R-2 = 0.661 and 0.682, respectively). Finally, excluding candesartan from the calculations resulted in a very good correlation (R-2 = 0.852) between the remaining ARB bioavailability and molecular descriptors MlogP and Mw as independent variables, determined by multiple linear regression.", publisher = "Srpsko biološko društvo, Beograd, i dr.", journal = "Archives of Biological Sciences", title = "Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists", volume = "68", number = "2", pages = "273-278", doi = "10.2298/ABS150915015T" }
Trbojević, J. B., Odović, J., Trbojević-Stanković, J., Nešić, D. M.,& Jelić, R.. (2016). Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists. in Archives of Biological Sciences Srpsko biološko društvo, Beograd, i dr.., 68(2), 273-278. https://doi.org/10.2298/ABS150915015T
Trbojević JB, Odović J, Trbojević-Stanković J, Nešić DM, Jelić R. Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists. in Archives of Biological Sciences. 2016;68(2):273-278. doi:10.2298/ABS150915015T .
Trbojević, Jovana B., Odović, Jadranka, Trbojević-Stanković, Jasna, Nešić, Dejan M., Jelić, Ratomir, "Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists" in Archives of Biological Sciences, 68, no. 2 (2016):273-278, https://doi.org/10.2298/ABS150915015T . .