The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules
Description
Kowalska Magdalena, Fijałkowski Łukasz, Nowaczyk Alicja. The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules. Journal of Education, Health and Sport. 2018;8(12):184-191. eISNN 2391-8306. DOI http://dx.doi.org/10.5281/zenodo.2066519
http://ojs.ukw.edu.pl/index.php/johs/article/view/6360
https://pbn.nauka.gov.pl/sedno-webapp/works/890560
The journal has had 7 points in Ministry of Science and Higher Education parametric evaluation. Part B item 1223 (26/01/2017).
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© The Authors 2018;
This article is published with open access at Licensee Open Journal Systems of Kazimierz Wielki University in Bydgoszcz, Poland
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Received: 25.11.2018. Revised: 30.11.2018. Accepted: 08.12.2018.
The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules
Magdalena Kowalska, Łukasz Fijałkowski, Alicja Nowaczyk
Department of Organic Chemistry, Faculty of Pharmacy, Collegium Medicum in Bydgoszcz, Nicolaus Copernicus University, Dr. A. Jurasza 2, 85-094 Bydgoszcz
Abstract
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.
Key words: Lipinski's rule, Veber rule, pyrrolidin-2-one derivatives
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