Calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase I and II isoenzymes
Carbonic anhydrases (CAs) are potent dehydration of carbonic acid and catalyst of the reversible hydration of carbon dioxide. Here, CA I and CA II was purified from human erythrocytes using the sim- ple chromatographic method and determined the interactions between some calcium channel block- ers an...
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fterzincanbyuniv:oai:earsiv.ebyu.edu.tr:20.500.12432/4126 2023-05-15T15:52:44+02:00 Calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase I and II isoenzymes Türkeş, Cüneyt Demir, Yeliz Beydemir, Şükrü EBYÜ, Eczacılık Fakültesi 2020 https://hdl.handle.net/20.500.12432/4126 eng eng Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı https://hdl.handle.net/20.500.12432/4126 info:eu-repo/semantics/restrictedAccess article 2020 fterzincanbyuniv https://doi.org/20.500.12432/4126 2022-01-09T19:13:25Z Carbonic anhydrases (CAs) are potent dehydration of carbonic acid and catalyst of the reversible hydration of carbon dioxide. Here, CA I and CA II was purified from human erythrocytes using the sim- ple chromatographic method and determined the interactions between some calcium channel block- ers and the enzymes. Molecular docking studies were performed these compounds. It was found that calcium channel blockers (nimodipine, nilvadipine, nitrendipine, isradipine, and nifedipine) exhibit potential inhibitor properties for hCA I and hCA II. IC50 values of hCA I were in the range of 9.24- 58.00 lM, and Ki constants were in the range of 7.60 ± 2.68-35.92 ± 16.01 lM. IC50 values of hCA II were in the range of 70.00-138.60 lM, and Ki constants were in the range of 48.30 ± 9.81-162.35 ± 20.47 lM. Nimodipine presented the highest docking score and had competitive inhibition, the benzene and pyridine rings were found to enter the cavity for hCA I. Nifedipine and isradipine did not affect hCA II. Among these drugs, nitrendipine was found to be the most potent inhibitor for hCA I and nimodipine for hCA II. These compounds may be useful for CA inhibitors. Article in Journal/Newspaper Carbonic acid Erzincan Binali Yıldırım University Institutional Repository (DSpace@Erzincan) |
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Open Polar |
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Erzincan Binali Yıldırım University Institutional Repository (DSpace@Erzincan) |
op_collection_id |
fterzincanbyuniv |
language |
English |
description |
Carbonic anhydrases (CAs) are potent dehydration of carbonic acid and catalyst of the reversible hydration of carbon dioxide. Here, CA I and CA II was purified from human erythrocytes using the sim- ple chromatographic method and determined the interactions between some calcium channel block- ers and the enzymes. Molecular docking studies were performed these compounds. It was found that calcium channel blockers (nimodipine, nilvadipine, nitrendipine, isradipine, and nifedipine) exhibit potential inhibitor properties for hCA I and hCA II. IC50 values of hCA I were in the range of 9.24- 58.00 lM, and Ki constants were in the range of 7.60 ± 2.68-35.92 ± 16.01 lM. IC50 values of hCA II were in the range of 70.00-138.60 lM, and Ki constants were in the range of 48.30 ± 9.81-162.35 ± 20.47 lM. Nimodipine presented the highest docking score and had competitive inhibition, the benzene and pyridine rings were found to enter the cavity for hCA I. Nifedipine and isradipine did not affect hCA II. Among these drugs, nitrendipine was found to be the most potent inhibitor for hCA I and nimodipine for hCA II. These compounds may be useful for CA inhibitors. |
author2 |
EBYÜ, Eczacılık Fakültesi |
format |
Article in Journal/Newspaper |
author |
Türkeş, Cüneyt Demir, Yeliz Beydemir, Şükrü |
spellingShingle |
Türkeş, Cüneyt Demir, Yeliz Beydemir, Şükrü Calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase I and II isoenzymes |
author_facet |
Türkeş, Cüneyt Demir, Yeliz Beydemir, Şükrü |
author_sort |
Türkeş, Cüneyt |
title |
Calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase I and II isoenzymes |
title_short |
Calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase I and II isoenzymes |
title_full |
Calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase I and II isoenzymes |
title_fullStr |
Calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase I and II isoenzymes |
title_full_unstemmed |
Calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase I and II isoenzymes |
title_sort |
calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase i and ii isoenzymes |
publishDate |
2020 |
url |
https://hdl.handle.net/20.500.12432/4126 |
genre |
Carbonic acid |
genre_facet |
Carbonic acid |
op_relation |
Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı https://hdl.handle.net/20.500.12432/4126 |
op_rights |
info:eu-repo/semantics/restrictedAccess |
op_doi |
https://doi.org/20.500.12432/4126 |
_version_ |
1766387834080460800 |