In vitro prediction of gastrointestinal absorption of novel beta-hydroxy-beta-arylalkanoic acids using PAMPA technique
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2017
Authors
Savić, Jelena
Dobričić, Vladimir

Nikolić, Katarina

Vladimirov, Sote
Dilber, Sanda
Brborić, Jasmina

Article (Published version)

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Prediction of gastrointestinal absorption of thirteen newly synthesized beta-hydroxy-beta-arylalkanoic acids (HAA) and ibuprofen was performed using PAMPA test The highest values of PAMPA parameters (%Tand P-app) were calculated for 1C, 1B and 2C and these parameters were significantly lower in comparison to ibuprofen. QSPR analysis was performed in order to identify molecular descriptors with the highest influence on %Tand-logP(app) and to create models which could be used for the design of novel HAA with improved gastrointestinal absorption. Obtained results indicate that introduction of branched side chain, as well as introduction of substituents on one phenyl ring (which disturb symmetry of the molecule) could have positive impact on gastrointestinal absorption. On the basis of these results, six novel HAA were designed and PAMPA parameters %Tand-logP(app) were predicted by use of selected QSPR models. Designed derivatives should have better gastrointestinal absorption than HAA tes...ted in this study.
Source:
European Journal of Pharmaceutical Sciences, 2017, 100, 36-41Publisher:
- Elsevier Science BV, Amsterdam
Funding / projects:
DOI: 10.1016/j.ejps.2017.01.005
ISSN: 0928-0987
PubMed: 28077276
WoS: 000397373900005
Scopus: 2-s2.0-85009360414
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PharmacyTY - JOUR AU - Savić, Jelena AU - Dobričić, Vladimir AU - Nikolić, Katarina AU - Vladimirov, Sote AU - Dilber, Sanda AU - Brborić, Jasmina PY - 2017 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2923 AB - Prediction of gastrointestinal absorption of thirteen newly synthesized beta-hydroxy-beta-arylalkanoic acids (HAA) and ibuprofen was performed using PAMPA test The highest values of PAMPA parameters (%Tand P-app) were calculated for 1C, 1B and 2C and these parameters were significantly lower in comparison to ibuprofen. QSPR analysis was performed in order to identify molecular descriptors with the highest influence on %Tand-logP(app) and to create models which could be used for the design of novel HAA with improved gastrointestinal absorption. Obtained results indicate that introduction of branched side chain, as well as introduction of substituents on one phenyl ring (which disturb symmetry of the molecule) could have positive impact on gastrointestinal absorption. On the basis of these results, six novel HAA were designed and PAMPA parameters %Tand-logP(app) were predicted by use of selected QSPR models. Designed derivatives should have better gastrointestinal absorption than HAA tested in this study. PB - Elsevier Science BV, Amsterdam T2 - European Journal of Pharmaceutical Sciences T1 - In vitro prediction of gastrointestinal absorption of novel beta-hydroxy-beta-arylalkanoic acids using PAMPA technique VL - 100 SP - 36 EP - 41 DO - 10.1016/j.ejps.2017.01.005 ER -
@article{ author = "Savić, Jelena and Dobričić, Vladimir and Nikolić, Katarina and Vladimirov, Sote and Dilber, Sanda and Brborić, Jasmina", year = "2017", abstract = "Prediction of gastrointestinal absorption of thirteen newly synthesized beta-hydroxy-beta-arylalkanoic acids (HAA) and ibuprofen was performed using PAMPA test The highest values of PAMPA parameters (%Tand P-app) were calculated for 1C, 1B and 2C and these parameters were significantly lower in comparison to ibuprofen. QSPR analysis was performed in order to identify molecular descriptors with the highest influence on %Tand-logP(app) and to create models which could be used for the design of novel HAA with improved gastrointestinal absorption. Obtained results indicate that introduction of branched side chain, as well as introduction of substituents on one phenyl ring (which disturb symmetry of the molecule) could have positive impact on gastrointestinal absorption. On the basis of these results, six novel HAA were designed and PAMPA parameters %Tand-logP(app) were predicted by use of selected QSPR models. Designed derivatives should have better gastrointestinal absorption than HAA tested in this study.", publisher = "Elsevier Science BV, Amsterdam", journal = "European Journal of Pharmaceutical Sciences", title = "In vitro prediction of gastrointestinal absorption of novel beta-hydroxy-beta-arylalkanoic acids using PAMPA technique", volume = "100", pages = "36-41", doi = "10.1016/j.ejps.2017.01.005" }
Savić, J., Dobričić, V., Nikolić, K., Vladimirov, S., Dilber, S.,& Brborić, J.. (2017). In vitro prediction of gastrointestinal absorption of novel beta-hydroxy-beta-arylalkanoic acids using PAMPA technique. in European Journal of Pharmaceutical Sciences Elsevier Science BV, Amsterdam., 100, 36-41. https://doi.org/10.1016/j.ejps.2017.01.005
Savić J, Dobričić V, Nikolić K, Vladimirov S, Dilber S, Brborić J. In vitro prediction of gastrointestinal absorption of novel beta-hydroxy-beta-arylalkanoic acids using PAMPA technique. in European Journal of Pharmaceutical Sciences. 2017;100:36-41. doi:10.1016/j.ejps.2017.01.005 .
Savić, Jelena, Dobričić, Vladimir, Nikolić, Katarina, Vladimirov, Sote, Dilber, Sanda, Brborić, Jasmina, "In vitro prediction of gastrointestinal absorption of novel beta-hydroxy-beta-arylalkanoic acids using PAMPA technique" in European Journal of Pharmaceutical Sciences, 100 (2017):36-41, https://doi.org/10.1016/j.ejps.2017.01.005 . .