Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents.
Based on the data about structure and antidiabetic activity of twenty seven vanadium and zinc coordination complexes collected from literature we developed QSAR models using the GUSAR program. These QSAR models were applied to 10 novel vanadium coordination complexes designed in silico in order to p...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Public Library of Science (PLoS)
2014-01-01
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| Series: | PLoS ONE |
| Online Access: | http://europepmc.org/articles/PMC4109918?pdf=render |
| _version_ | 1818022950505283584 |
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| author | Elena V Fedorova Anna V Buryakina Alexey V Zakharov Dmitry A Filimonov Alexey A Lagunin Vladimir V Poroikov |
| author_facet | Elena V Fedorova Anna V Buryakina Alexey V Zakharov Dmitry A Filimonov Alexey A Lagunin Vladimir V Poroikov |
| author_sort | Elena V Fedorova |
| collection | DOAJ |
| description | Based on the data about structure and antidiabetic activity of twenty seven vanadium and zinc coordination complexes collected from literature we developed QSAR models using the GUSAR program. These QSAR models were applied to 10 novel vanadium coordination complexes designed in silico in order to predict their hypoglycemic action. The five most promising substances with predicted potent hypoglycemic action were selected for chemical synthesis and pharmacological evaluation. The selected coordination vanadium complexes were synthesized and tested in vitro and in vivo for their hypoglycemic activities and acute rat toxicity. Estimation of acute rat toxicity of these five vanadium complexes was performed using a freely available web-resource (http://way2drug.com/GUSAR/acutoxpredict.html). It has shown that the selected compounds belong to the class of moderate toxic pharmaceutical agents, according to the scale of Hodge and Sterner. Comparison with the predicted data has demonstrated a reasonable correspondence between the experimental and predicted values of hypoglycemic activity and toxicity. Bis{tert-butyl[amino(imino)methyl]carbamato}oxovanadium (IV) and sodium(2,2'-Bipyridyl)oxo-diperoxovanadate(V) octahydrate were identified as the most potent hypoglycemic agents among the synthesized compounds. |
| first_indexed | 2024-12-10T03:36:34Z |
| format | Article |
| id | doaj.art-ccb5e6b8c5af45b7b059355ab80b9bee |
| institution | Directory Open Access Journal |
| issn | 1932-6203 |
| language | English |
| last_indexed | 2024-12-10T03:36:34Z |
| publishDate | 2014-01-01 |
| publisher | Public Library of Science (PLoS) |
| record_format | Article |
| series | PLoS ONE |
| spelling | doaj.art-ccb5e6b8c5af45b7b059355ab80b9bee2022-12-22T02:03:41ZengPublic Library of Science (PLoS)PLoS ONE1932-62032014-01-0197e10038610.1371/journal.pone.0100386Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents.Elena V FedorovaAnna V BuryakinaAlexey V ZakharovDmitry A FilimonovAlexey A LaguninVladimir V PoroikovBased on the data about structure and antidiabetic activity of twenty seven vanadium and zinc coordination complexes collected from literature we developed QSAR models using the GUSAR program. These QSAR models were applied to 10 novel vanadium coordination complexes designed in silico in order to predict their hypoglycemic action. The five most promising substances with predicted potent hypoglycemic action were selected for chemical synthesis and pharmacological evaluation. The selected coordination vanadium complexes were synthesized and tested in vitro and in vivo for their hypoglycemic activities and acute rat toxicity. Estimation of acute rat toxicity of these five vanadium complexes was performed using a freely available web-resource (http://way2drug.com/GUSAR/acutoxpredict.html). It has shown that the selected compounds belong to the class of moderate toxic pharmaceutical agents, according to the scale of Hodge and Sterner. Comparison with the predicted data has demonstrated a reasonable correspondence between the experimental and predicted values of hypoglycemic activity and toxicity. Bis{tert-butyl[amino(imino)methyl]carbamato}oxovanadium (IV) and sodium(2,2'-Bipyridyl)oxo-diperoxovanadate(V) octahydrate were identified as the most potent hypoglycemic agents among the synthesized compounds.http://europepmc.org/articles/PMC4109918?pdf=render |
| spellingShingle | Elena V Fedorova Anna V Buryakina Alexey V Zakharov Dmitry A Filimonov Alexey A Lagunin Vladimir V Poroikov Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents. PLoS ONE |
| title | Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents. |
| title_full | Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents. |
| title_fullStr | Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents. |
| title_full_unstemmed | Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents. |
| title_short | Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents. |
| title_sort | design synthesis and pharmacological evaluation of novel vanadium containing complexes as antidiabetic agents |
| url | http://europepmc.org/articles/PMC4109918?pdf=render |
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