Oleg Devinyak | Uzhhorod National University (original) (raw)
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Herzen State Pedagogical University of Russia, St.Petersburg.
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Львівський національний медичний університет ім. Данила Галицького 79010, м. Львів, вул. Пекарськ... more Львівський національний медичний університет ім. Данила Галицького 79010, м. Львів, вул. Пекарська, 69. E-mail: dr_r_lesyk@org.lviv.net * Державний вищий навчальний заклад «Ужгородський національний університет» Ключові слова: 4-тіазолідинони; протипухлинна активність; кластерний аналіз; моделювання фармакофора
Our study shows the importance of compliance in families that have children with cystic fibrosis.... more Our study shows the importance of compliance in families that have children with cystic fibrosis. The separation of questions in the questionnaire into blocks allowed us to evaluate the compliance of parents having a sick child with various aspects of prevention and treatment both at general and individual levels.
Львівський національний медичний університет ім. Данила Галицького 79010, м. Львів, вул. Пекарськ... more Львівський національний медичний університет ім. Данила Галицького 79010, м. Львів, вул. Пекарська, 69. E-mail: dr_r_lesyk@org.lviv.net * Державний вищий навчальний заклад «Ужгородський національний університет» Ключові слова: 4-тіазолідинони; протипухлинна активність; кластерний аналіз; моделювання фармакофора
In silico screening of virtual 4-thiazolidinones library has been carried out with several self-d... more In silico screening of virtual 4-thiazolidinones library has been carried out with several self-developed QSAR and pharmacophore models of anticancer activity. Such approach has allowed us to choose 14 the most probable anticancer hits -conjugates of 4-thiazolidinone, pyrazoline and isatin, which in turn have been synthesized. Half of these compounds were subjected to anticancer activity evaluation and biological experiments confirmed our predictions, although in a qualitative manner. The most sensitive to tested compounds cancer cell line is Mino (the lowest IC 50 reached 0.17 μM), which represents mantle cell lymphoma -a rare but very aggressive tumor. That identifies the further direction of biological studies of the novel anticancer hit compounds.
In order to perform directed synthesis of antineoplastic compounds, multiple linear regression an... more In order to perform directed synthesis of antineoplastic compounds, multiple linear regression analysis and classification modeling (by Random Forest algorithm) of 4-thiazolidinones as anticancer agents were carried out. The predictive ability is confirmed by statistics obtained during model developing and test sample predicting. Descriptors contribution in the decision making is estimated, the most important descriptors for the classification are identified and interpreted. The relationship between selected molecular descriptors and cancer cells growth inhibition is highlighted. The full text in Ukrainian is available at http://dspace.nbuv.gov.ua/bitstream/handle/123456789/42017/03-Zimenkovsky.pdf?sequence=1
During the last few years a significant number of papers, which discussed possible pitfalls and p... more During the last few years a significant number of papers, which discussed possible pitfalls and provided good practice for successfuls QSAR, have appeared. While the chemical and biological aspects and the general methodology of QSAR are well defined, some misconceptions in statistics are still remaining and even have been included into recommendations. Here is the list of thoughts that will be discussed during presentation: 1.The distribution of response (biological activity) should be normal. 2.Alpha-level for p-values in QSAR modeling is 0.05. 3.Numerous predictive power estimators. 4.Non-random selection of test set.
Львівський національний медичний університет ім. Данила Галицького 79010, м. Львів, вул. Пекарськ... more Львівський національний медичний університет ім. Данила Галицького 79010, м. Львів, вул. Пекарська, 69. E-mail: dr_r_lesyk@org.lviv.net * Державний вищий навчальний заклад «Ужгородський національний університет» Ключові слова: 4-тіазолідинони; протипухлинна активність; кластерний аналіз; моделювання фармакофора
Our study shows the importance of compliance in families that have children with cystic fibrosis.... more Our study shows the importance of compliance in families that have children with cystic fibrosis. The separation of questions in the questionnaire into blocks allowed us to evaluate the compliance of parents having a sick child with various aspects of prevention and treatment both at general and individual levels.
Львівський національний медичний університет ім. Данила Галицького 79010, м. Львів, вул. Пекарськ... more Львівський національний медичний університет ім. Данила Галицького 79010, м. Львів, вул. Пекарська, 69. E-mail: dr_r_lesyk@org.lviv.net * Державний вищий навчальний заклад «Ужгородський національний університет» Ключові слова: 4-тіазолідинони; протипухлинна активність; кластерний аналіз; моделювання фармакофора
In silico screening of virtual 4-thiazolidinones library has been carried out with several self-d... more In silico screening of virtual 4-thiazolidinones library has been carried out with several self-developed QSAR and pharmacophore models of anticancer activity. Such approach has allowed us to choose 14 the most probable anticancer hits -conjugates of 4-thiazolidinone, pyrazoline and isatin, which in turn have been synthesized. Half of these compounds were subjected to anticancer activity evaluation and biological experiments confirmed our predictions, although in a qualitative manner. The most sensitive to tested compounds cancer cell line is Mino (the lowest IC 50 reached 0.17 μM), which represents mantle cell lymphoma -a rare but very aggressive tumor. That identifies the further direction of biological studies of the novel anticancer hit compounds.
In order to perform directed synthesis of antineoplastic compounds, multiple linear regression an... more In order to perform directed synthesis of antineoplastic compounds, multiple linear regression analysis and classification modeling (by Random Forest algorithm) of 4-thiazolidinones as anticancer agents were carried out. The predictive ability is confirmed by statistics obtained during model developing and test sample predicting. Descriptors contribution in the decision making is estimated, the most important descriptors for the classification are identified and interpreted. The relationship between selected molecular descriptors and cancer cells growth inhibition is highlighted. The full text in Ukrainian is available at http://dspace.nbuv.gov.ua/bitstream/handle/123456789/42017/03-Zimenkovsky.pdf?sequence=1
During the last few years a significant number of papers, which discussed possible pitfalls and p... more During the last few years a significant number of papers, which discussed possible pitfalls and provided good practice for successfuls QSAR, have appeared. While the chemical and biological aspects and the general methodology of QSAR are well defined, some misconceptions in statistics are still remaining and even have been included into recommendations. Here is the list of thoughts that will be discussed during presentation: 1.The distribution of response (biological activity) should be normal. 2.Alpha-level for p-values in QSAR modeling is 0.05. 3.Numerous predictive power estimators. 4.Non-random selection of test set.