The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules
Advanced computational methods (in silico) play major role in the early stages of developing new pharmaceuticals. Precise knowledge on molecular structure gives the possibility of forecasting the drug candidates basic properties. Despite many drugs registered in the arrhythmia treatment, this diseas...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Kazimierz Wielki University
2018-12-01
|
| Series: | Journal of Education, Health and Sport |
| Subjects: | |
| Online Access: | http://www.ojs.ukw.edu.pl/index.php/johs/article/view/6360 |
| _version_ | 1818332918149283840 |
|---|---|
| author | Magdalena Kowalska Łukasz Fijałkowski Alicja Nowaczyk |
| author_facet | Magdalena Kowalska Łukasz Fijałkowski Alicja Nowaczyk |
| author_sort | Magdalena Kowalska |
| collection | DOAJ |
| description | Advanced computational methods (in silico) play major role in the early stages of developing new pharmaceuticals. Precise knowledge on molecular structure gives the possibility of forecasting the drug candidates basic properties. Despite many drugs registered in the arrhythmia treatment, this disease currently is still a big therapeutic problem. Therefore, intensive search for new drugs acting on the cardiovascular system are performed.
In the presented work, 77 pyrrolidin-2-one derivatives were analyzed for antiarrhythmic activity. Values of the key parameters proposed by Lipinski and Veber were obtained using computational chemistry methods. It's worth pointing out that the studied group of derivatives shows similar physicochemical properties to the anti-arrhythmic drugs used. |
| first_indexed | 2024-12-13T13:43:22Z |
| format | Article |
| id | doaj.art-23b022db896d4215b84e91bd8e11fcc4 |
| institution | Directory Open Access Journal |
| issn | 2391-8306 |
| language | English |
| last_indexed | 2024-12-13T13:43:22Z |
| publishDate | 2018-12-01 |
| publisher | Kazimierz Wielki University |
| record_format | Article |
| series | Journal of Education, Health and Sport |
| spelling | doaj.art-23b022db896d4215b84e91bd8e11fcc42022-12-21T23:43:31ZengKazimierz Wielki UniversityJournal of Education, Health and Sport2391-83062018-12-0181218419110.5281/zenodo.20665195717The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber RulesMagdalena Kowalska0Łukasz Fijałkowski1Alicja Nowaczyk2Department of Organic Chemistry, Faculty of Pharmacy, Collegium Medicum in Bydgoszcz, Nicolaus Copernicus University, Dr. A. Jurasza 2, 85-094 BydgoszczDepartment of Organic Chemistry, Faculty of Pharmacy, Collegium Medicum in Bydgoszcz, Nicolaus Copernicus University, Dr. A. Jurasza 2, 85-094 BydgoszczDepartment of Organic Chemistry, Faculty of Pharmacy, Collegium Medicum in Bydgoszcz, Nicolaus Copernicus University, Dr. A. Jurasza 2, 85-094 BydgoszczAdvanced computational methods (in silico) play major role in the early stages of developing new pharmaceuticals. Precise knowledge on molecular structure gives the possibility of forecasting the drug candidates basic properties. Despite many drugs registered in the arrhythmia treatment, this disease currently is still a big therapeutic problem. Therefore, intensive search for new drugs acting on the cardiovascular system are performed. In the presented work, 77 pyrrolidin-2-one derivatives were analyzed for antiarrhythmic activity. Values of the key parameters proposed by Lipinski and Veber were obtained using computational chemistry methods. It's worth pointing out that the studied group of derivatives shows similar physicochemical properties to the anti-arrhythmic drugs used.http://www.ojs.ukw.edu.pl/index.php/johs/article/view/6360lipinski's ruleveber rulepyrrolidin-2-one derivatives |
| spellingShingle | Magdalena Kowalska Łukasz Fijałkowski Alicja Nowaczyk The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules Journal of Education, Health and Sport lipinski's rule veber rule pyrrolidin-2-one derivatives |
| title | The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules |
| title_full | The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules |
| title_fullStr | The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules |
| title_full_unstemmed | The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules |
| title_short | The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules |
| title_sort | biological activity assessment of potential drugs acting on cardiovascular system using lipinski and veber rules |
| topic | lipinski's rule veber rule pyrrolidin-2-one derivatives |
| url | http://www.ojs.ukw.edu.pl/index.php/johs/article/view/6360 |
| work_keys_str_mv | AT magdalenakowalska thebiologicalactivityassessmentofpotentialdrugsactingoncardiovascularsystemusinglipinskiandveberrules AT łukaszfijałkowski thebiologicalactivityassessmentofpotentialdrugsactingoncardiovascularsystemusinglipinskiandveberrules AT alicjanowaczyk thebiologicalactivityassessmentofpotentialdrugsactingoncardiovascularsystemusinglipinskiandveberrules AT magdalenakowalska biologicalactivityassessmentofpotentialdrugsactingoncardiovascularsystemusinglipinskiandveberrules AT łukaszfijałkowski biologicalactivityassessmentofpotentialdrugsactingoncardiovascularsystemusinglipinskiandveberrules AT alicjanowaczyk biologicalactivityassessmentofpotentialdrugsactingoncardiovascularsystemusinglipinskiandveberrules |