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Docking Studies, Synthesis and Biological Evaluation of beta-aryl-beta-hydroxy Propanoic Acids for Anti-inflammatory Activity

Nema prikaza
Autori
Savić, Jelena
Dilber, Sanda
Milenković, Marina
Kotur-Stevuljević, Jelena
Marković, Bojan
Vladimirov, Sote
Brborić, Jasmina
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentu
Apstrakt
Background: Nonsteriodal anti-inflammatory drugs (NSAIDs) are numerous and widely used for more than 60 years, but there is still a strong need for developing novel selective NSAIDs. The need is justified by the fact that nonselective NSAIDs can produce serious gastric side effects and that some of the selective NSAID are withdrawn due to their cardiotoxic side effects. Methods: Eight beta-hydroxy-beta-arylpropanoic acids, which belong to the arylpropanoic acid class of compounds, structurally similar to some nonsteroidal anti-inflammatory drugs (NSAIDs), were docked into 3D catalytic site of both cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2). Seven out of those eight acids were synthesized using already published modification of Reformatsky reaction additionally optimized by increasing temperature. Synthesized compounds were tested in vivo in order to elucidate anti-inflammatory activity, gastric tolerability and impact on liver function of rats. Results: Results of docking st...udies have indicated that all compounds have potential to selectively inhibit COX-2 isoform, but that the compounds containing polar substituents on phenyl ring are better inhibitors. Results of carrageenan-induced rat paw oedema test have shown that all compounds exhibit dose dependence and good gastric tolerability and none of the tested compounds have shown negative effect on liver function compared to ibuprofen. Conclusion: The compound containing polar nitro group in para position has shown the best docking results, anti-inflammatory activity, low hepatotoxicity and good gastric tolerability.

Izvor:
Medicinal Chemistry, 2017, 13, 2, 186-195
Izdavač:
  • Bentham Science Publ Ltd, Sharjah
Finansiranje / projekti:
  • Razvoj molekula sa antiinflamatornim i kardioproaktivnim dejstvom: strukturne modifikacije, modelovanje, fizičkohemijska karakterizacija i formulaciona ispitivanja (RS-172041)

DOI: 10.2174/1573406412666160907150247

ISSN: 1573-4064

PubMed: 27605092

WoS: 000402476700009

Scopus: 2-s2.0-85013862353
[ Google Scholar ]
6
3
URI
https://farfar.pharmacy.bg.ac.rs/handle/123456789/2891
Kolekcije
  • Radovi istraživača / Researchers’ publications
Institucija/grupa
Pharmacy
TY  - JOUR
AU  - Savić, Jelena
AU  - Dilber, Sanda
AU  - Milenković, Marina
AU  - Kotur-Stevuljević, Jelena
AU  - Marković, Bojan
AU  - Vladimirov, Sote
AU  - Brborić, Jasmina
PY  - 2017
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2891
AB  - Background: Nonsteriodal anti-inflammatory drugs (NSAIDs) are numerous and widely used for more than 60 years, but there is still a strong need for developing novel selective NSAIDs. The need is justified by the fact that nonselective NSAIDs can produce serious gastric side effects and that some of the selective NSAID are withdrawn due to their cardiotoxic side effects. Methods: Eight beta-hydroxy-beta-arylpropanoic acids, which belong to the arylpropanoic acid class of compounds, structurally similar to some nonsteroidal anti-inflammatory drugs (NSAIDs), were docked into 3D catalytic site of both cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2). Seven out of those eight acids were synthesized using already published modification of Reformatsky reaction additionally optimized by increasing temperature. Synthesized compounds were tested in vivo in order to elucidate anti-inflammatory activity, gastric tolerability and impact on liver function of rats. Results: Results of docking studies have indicated that all compounds have potential to selectively inhibit COX-2 isoform, but that the compounds containing polar substituents on phenyl ring are better inhibitors. Results of carrageenan-induced rat paw oedema test have shown that all compounds exhibit dose dependence and good gastric tolerability and none of the tested compounds have shown negative effect on liver function compared to ibuprofen. Conclusion: The compound containing polar nitro group in para position has shown the best docking results, anti-inflammatory activity, low hepatotoxicity and good gastric tolerability.
PB  - Bentham Science Publ Ltd, Sharjah
T2  - Medicinal Chemistry
T1  - Docking Studies, Synthesis and Biological Evaluation of beta-aryl-beta-hydroxy Propanoic Acids for Anti-inflammatory Activity
VL  - 13
IS  - 2
SP  - 186
EP  - 195
DO  - 10.2174/1573406412666160907150247
ER  - 
@article{
author = "Savić, Jelena and Dilber, Sanda and Milenković, Marina and Kotur-Stevuljević, Jelena and Marković, Bojan and Vladimirov, Sote and Brborić, Jasmina",
year = "2017",
abstract = "Background: Nonsteriodal anti-inflammatory drugs (NSAIDs) are numerous and widely used for more than 60 years, but there is still a strong need for developing novel selective NSAIDs. The need is justified by the fact that nonselective NSAIDs can produce serious gastric side effects and that some of the selective NSAID are withdrawn due to their cardiotoxic side effects. Methods: Eight beta-hydroxy-beta-arylpropanoic acids, which belong to the arylpropanoic acid class of compounds, structurally similar to some nonsteroidal anti-inflammatory drugs (NSAIDs), were docked into 3D catalytic site of both cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2). Seven out of those eight acids were synthesized using already published modification of Reformatsky reaction additionally optimized by increasing temperature. Synthesized compounds were tested in vivo in order to elucidate anti-inflammatory activity, gastric tolerability and impact on liver function of rats. Results: Results of docking studies have indicated that all compounds have potential to selectively inhibit COX-2 isoform, but that the compounds containing polar substituents on phenyl ring are better inhibitors. Results of carrageenan-induced rat paw oedema test have shown that all compounds exhibit dose dependence and good gastric tolerability and none of the tested compounds have shown negative effect on liver function compared to ibuprofen. Conclusion: The compound containing polar nitro group in para position has shown the best docking results, anti-inflammatory activity, low hepatotoxicity and good gastric tolerability.",
publisher = "Bentham Science Publ Ltd, Sharjah",
journal = "Medicinal Chemistry",
title = "Docking Studies, Synthesis and Biological Evaluation of beta-aryl-beta-hydroxy Propanoic Acids for Anti-inflammatory Activity",
volume = "13",
number = "2",
pages = "186-195",
doi = "10.2174/1573406412666160907150247"
}
Savić, J., Dilber, S., Milenković, M., Kotur-Stevuljević, J., Marković, B., Vladimirov, S.,& Brborić, J.. (2017). Docking Studies, Synthesis and Biological Evaluation of beta-aryl-beta-hydroxy Propanoic Acids for Anti-inflammatory Activity. in Medicinal Chemistry
Bentham Science Publ Ltd, Sharjah., 13(2), 186-195.
https://doi.org/10.2174/1573406412666160907150247
Savić J, Dilber S, Milenković M, Kotur-Stevuljević J, Marković B, Vladimirov S, Brborić J. Docking Studies, Synthesis and Biological Evaluation of beta-aryl-beta-hydroxy Propanoic Acids for Anti-inflammatory Activity. in Medicinal Chemistry. 2017;13(2):186-195.
doi:10.2174/1573406412666160907150247 .
Savić, Jelena, Dilber, Sanda, Milenković, Marina, Kotur-Stevuljević, Jelena, Marković, Bojan, Vladimirov, Sote, Brborić, Jasmina, "Docking Studies, Synthesis and Biological Evaluation of beta-aryl-beta-hydroxy Propanoic Acids for Anti-inflammatory Activity" in Medicinal Chemistry, 13, no. 2 (2017):186-195,
https://doi.org/10.2174/1573406412666160907150247 . .

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