Search Results - "KOVALISHYN, Vasyl"

Design of new imidazole derivatives with anti-HCMV activity: QSAR modeling, synthesis and biological testing by Kovalishyn, Vasyl, Zyabrev, Volodymyr, Kachaeva, Maryna, Ziabrev, Kostiantyn, Keith, Kathy, Harden, Emma, Hartline, Caroll, James, Scott H., Brovarets, Volodymyr

“…The problem of designing new antiviral drugs against Human Cytomegalovirus (HCMV) was addressed using the Online Chemical Modeling Environment (OCHEM). Data on…”
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Structure-Activity Relationship Modeling and Experimental Validation of the Imidazolium and Pyridinium Based Ionic Liquids as Potential Antibacterials of MDR Acinetobacter Baumannii and Staphylococcus Aureus by Semenyuta, Ivan V, Trush, Maria M, Kovalishyn, Vasyl V, Rogalsky, Sergiy P, Hodyna, Diana M, Karpov, Pavel, Xia, Zhonghua, Tetko, Igor V, Metelytsia, Larisa O

“…Online Chemical Modeling Environment (OCHEM) was used for QSAR analysis of a set of ionic liquids (ILs) tested against multi-drug resistant (MDR) clinical…”
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Design, synthesis and evaluation of novel sulfonamides as potential anticancer agents by Kachaeva, Maryna V., Hodyna, Diana M., Semenyuta, Ivan V., Pilyo, Stepan G., Prokopenko, Volodymyr M., Kovalishyn, Vasyl V., Metelytsia, Larysa O., Brovarets, Volodymyr S.

“…[Display omitted] •QSAR modeling was applied to the rational design of novel 1,3-oxazole-based sulfonamides as potential anticancer agents.•A series of…”
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Synthesis and structure-antituberculosis activity relationship of 1H-indole-2,3-dione derivatives by KARALI, Nilgün, GÜRSOY, Aysel, KANDEMIRLI, Fatma, SHVETS, Nathaly, BETÜL KAYNAK, F, OZBEY, Süheyla, KOVALISHYN, Vasyl, DIMOGLO, Anatholy

“…New series of 5-fluoro-1H-indole-2,3-dione-3-thiosemicarbazones 2a-k and 5-fluoro-1-morpholino/piperidinomethyl-1H-indole-2,3-dione-3-thiosemicarbazones 3a-r…”
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In vitro activity of novel 4-iminohydantoin sulfamide derivatives against human cytomegalovirus by Zhirnov, Victor, Shablykin, Oleh, Chumachenko, Svitlana, Kornii, Yurii, Keith, Kathy A., Harden, Emma A., Hartline, Caroll B., James, Scott H., Kobzar, Oleksandr, Kovalishyn, Vasyl, Vovk, Andriy, Brovarets, Volodymyr

“…Here, we describe machine learning models, predicted ADMET properties, and analysis in vitro activity of selected 4-iminohydantoin sulfamide derivatives with…”
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Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR Acinetobacter baumannii by Metelytsia, Larysa O, Hodyna, Diana M, Semenyuta, Ivan V, Kovalishyn, Vasyl V, Rogalsky, Sergiy P, Derevianko, Kateryna Yu, Brovarets, Volodymyr S, Tetko, Igor V

“…A previously developed model to predict antibacterial activity of ionic liquids against a resistant strain was used to assess activity of phosphonium ionic…”
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Development and application of in silico models to design new antibacterial 5-amino-4-cyano-1,3-oxazoles against colistin-resistant E. coli strains by Semenyuta, Ivan, Hodyna, Diana, Kovalishyn, Vasyl, Demydchuk, Bohdan, Kachaeva, Maryna, Pilyo, Stepan, Brovarets, Volodymyr, Metelytsia, Larysa

“…Here we describe the results of QSAR analysis based on artificial neural networks, synthesis, activity evaluation and molecular docking of a number of…”
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1,3-Oxazole derivatives of cytisine as potential inhibitors of glutathione reductase of Candida spp.: QSAR modeling, docking analysis and experimental study of new anti-Candida agents by Metelytsia, Larysa O., Trush, Maria M., Kovalishyn, Vasyl V., Hodyna, Diana M., Kachaeva, Maryna V., Brovarets, Volodymyr S., Pilyo, Stepan G., Sukhoveev, Volodymyr V., Tsyhankov, Serhii A., Blagodatnyi, Volodymyr M., Semenyuta, Ivan V.

“…[Display omitted] •QSAR modeling was used to predict and select of biologically active cytisine-containing 1,3‑oxazoles. A series of most promising compounds…”
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Imidazolium Ionic Liquids as Potential Anti-Candida Inhibitors: QSAR Modeling and Experimental Studies by Hodyna, Diana, Kovalishyn, Vasyl, Rogalsky, Sergiy, Blagodatnyi, Volodymyr, Metelytsia, Larisa

“…Quantitative structure-activity relationships (QSAR) of imidazolium ionic liquids (ILs) as inhibitors of C. albicans collection strains (IOA-109, KCTC 1940,…”
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Design and synthesis of new potent inhibitors of farnesyl pyrophosphate synthase by Prokopenko, Volodymyr, Kovalishyn, Vasyl, Shevchuk, Michael, Kopernyk, Iryna, Metelytsia, Larysa, Romanenko, Vadim, Mogilevich, Sergey, Kukhar, Valery

“…Predictive QSAR models for the inhibition activities of nitrogen-containing bisphosphonates (N-BPs) against farnesyl pyrophosphate synthase (FPPS) from…”
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Prediction of thrombin and factor xa inhibitory activity with associative neural networks by Kovalishyn, Vasyl, Tanchuk, Vsevolod, Kopernyk, Iryna, Prokopenko, Volodymyr, Metelytsia, Larysa

“…Quantitative structure-activity relationship studies on a series of selective inhibitors of thrombin and factor Xa were performed by using Associative Neural…”
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Volume Learning Algorithm Artificial Neural Networks for 3D QSAR Studies by Tetko, Igor V, Kovalishyn, Vasyl V, Livingstone, David J

“…The current study introduces a new method, the volume learning algorithm (VLA), for the investigation of three-dimensional quantitative structure−activity…”
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A review of recent advances towards the development of QSAR models for toxicity assessment of ionic liquids by Abramenko, Natalia, Kustov, Leonid, Metelytsia, Larysa, Kovalishyn, Vasyl, Tetko, Igor, Peijnenburg, Willie

“…Ionic Liquids (ILs) are considered as an alternative to traditional organic solvents due to their unique physical and chemical properties. On the one hand,…”
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Efficient variable selection batch pruning algorithm for artificial neural networks by Kovalishyn, Vasyl, Poda, Gennady

“…Here we report a novel, fast and efficient algorithm for variable selection, the batch pruning algorithm (BPA). The method combines the artificial neural…”
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Volume learning algorithm significantly improved PLS model for predicting the estrogenic activity of xenoestrogens by Kovalishyn, Vasyl V., Kholodovych, Vladyslav, Tetko, Igor V., Welsh, William J.

“…Volume learning algorithm (VLA) artificial neural network and partial least squares (PLS) methods were compared using the leave-one-out cross-validation…”
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Electron-Topological Method of the non-nucleoside HIV-1 RT inhibitors study: structure-activity relationships by Kandemirli, Fatma, Kovalishyn, Vasyl, Kandemirli, Sedat Giray

“…Structure activity relationships for a series of TIBO (4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-j,k][1,4] benzodiazepin-2(1H)-one) derivatives, which…”
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Modelling the toxicity of a large set of metal and metal oxide nanoparticles using the OCHEM platform by Kovalishyn, Vasyl, Abramenko, Natalia, Kopernyk, Iryna, Charochkina, Larysa, Metelytsia, Larysa, Tetko, Igor V., Peijnenburg, Willie, Kustov, Leonid

“…Inorganic nanomaterials have become one of the new areas of modern knowledge and technology and have already found an increasing number of applications…”
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The structure--antituberculosis activity relationships study in a series of 5-(4-aminophenyl)-4-substituted-2,4-dihydro-3h-1,2,4-triazole-3-thione derivatives. A combined electronic-topological and neural networks approach by Kandemirli, Fatma, Shvets, Nathali, Unsalan, Seda, Küçükgüzel, Ilkay, Rollas, Sevim, Kovalishyn, Vasyl, Dimoglo, Anatholy

“…Antituberculosis activity of several 5-(4-aminophenyl)-4-alkyl/aryl-2,4-dihydro-3H-1,2,4-triazole-3-thiones (1-9) and their thiourea derivatives (10-31) were…”
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In Silico Design and In Vitro Assessment of Bicyclic Trifluoromethylated Pyrroles as New Antibacterial and Antifungal Agents by Hodyna, Diana, Klipkov, Anton, Kachaeva, Maryna, Shulha, Yurii, Gerus, Igor, Metelytsia, Larysa, Kovalishyn, Vasyl

“…QSAR studies on the number of compounds tested as S. aureus inhibitors were performed using an interactive Online Chemical Database and Modeling Environment…”
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Quinoline Hydrazone Derivatives as New Antibacterials Against Multidrug Resistant Strains by Hodyna, Diana, Kovalishyn, Vasyl, Romanenko, Yanina, Semenyuta, Ivan, Blagodatny, Volodymyr, Kachaeva, Maryna, Brazhko, Oleksandr, Metelytsia, Larysa

“…To develop novel antimicrobial agents a series of 2(4)-hydrazone derivatives of quinoline were designed, synthesized and tested. QSAR models of the…”
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