Search Results - "Vovk, Andriy I"

A New, Improved Hybrid Scoring Function for Molecular Docking and Scoring Based on AutoDock and AutoDock Vina by Tanchuk, Vsevolod Yu, Tanin, Volodymyr O., Vovk, Andriy I., Poda, Gennady

“…Automated docking is one of the most important tools for structure‐based drug design that allows prediction of ligand binding poses and also provides an…”
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Phosphonate derivatives of tetraazamacrocycles as new inhibitors of protein tyrosine phosphatases by Kobzar, Oleksandr L, Shevchuk, Michael V, Lyashenko, Alesya N, Tanchuk, Vsevolod Yu, Romanenko, Vadim D, Kobelev, Sergei M, Averin, Alexei D, Beletskaya, Irina P, Vovk, Andriy I, Kukhar, Valery P

“…α,α-Difluoro-β-ketophosphonated derivatives of tetraazamacrocycles were synthesized and found to be potential inhibitors of protein tyrosine phosphatases…”
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A New Scoring Function for Molecular Docking Based on AutoDock and AutoDock Vina by Tanchuk, Vsevolod Yu, Tanin, Volodymyr O, Vovk, Andriy I, Poda, Gennady

“…Molecular docking of small molecules in the protein binding sites is the most widely used computational technique in modern structure-based drug discovery…”
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Trapping of thermally generated ortho - and para -quinone methides by imidazoles and pyrazoles: a simple route to green synthesis of benzopyrone-azole hybrids and their evaluation as α-glucosidase inhibitors by Myshko, Andrii S, Mrug, Galyna P, Bondarenko, Svitlana P, Kondratyuk, Kostyantyn M, Kobzar, Oleksandr L, Buldenko, Vladyslav M, Kozytskiy, Andriy V, Vovk, Andriy I, Frasinyuk, Mykhaylo S

“…An efficient green approach for the trapping of generated -and -quinone methide intermediates by imidazoles and pyrazoles has been developed. A wide range of…”
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Divergent Synthesis of Novel 3(5)‐Aminoazole–Benzopyrone Hybrids and their Evaluation as α‐Glucosidase Inhibitors by Myshko, Andrii S., Mrug, Galyna P., Bondarenko, Svitlana P., Demydchuk, Bohdan A., Kobzar, Oleksandr L., Buldenko, Vladyslav M., Vovk, Andriy I., Frasinyuk, Mykhaylo

“…An efficient approach has been developed for the trapping in situ generated benzopyrone‐based ortho‐quinone methide intermediates by 3‐ and 5‐amino pyrazoles…”
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Calixarene-based phosphinic acids as inhibitors of protein tyrosine phosphatases by Buldenko, Vladyslav M., Trush, Viacheslav V., Kobzar, Oleksandr L., Drapailo, Andriy B., Kalchenko, Vitaly I., Vovk, Andriy I.

“…[Display omitted] •Calixarene-based phosphinic inhibitors of PTP1B were synthesized.•The potency and selectivity of the inhibitors depend on scaffold type.•The…”
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Carboxylated aurone derivatives as potent inhibitors of xanthine oxidase by Muzychka, Oksana V., Kobzar, Oleksandr L., Popova, Antonina V., Frasinyuk, Mykhaylo S., Vovk, Andriy I.

“…[Display omitted] •Carboxylated aurone derivatives are able to inhibit xanthine oxidase in vitro.•The inhibition efficiency of the aurone derivatives is higher…”
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The geometry of diphtheria toxoid CRM197 channel assessed by thiazolium salts and nonelectrolytes by Shatursky, Oleg Ya, Manoilov, Kyrylo Yu, Gorbatiuk, Oksana B., Usenko, Mariya O., Zhukova, Dariia A., Vovk, Andriy I., Kobzar, Oleksandr L., Trikash, Irene O., Borisova, Tatiana A., Kolibo, Denys V., Komisarenko, Serhiy V.

“…The geometry of the channel formed by nontoxic derivative of diphtheria toxin CRM197 in lipid bilayer was determined using the dependence of single-channel…”
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Synthesis and in vitro anticancer potential of new thiazole-containing derivatives of rhodanine by Los, Oleksandr V., Sinenko, Vitalii O., Kobzar, Oleksandr L., Zhirnov, Victor V., Vovk, Andriy I., Brovarets, Volodymyr S.

“…New 1,3-thiazol-2-yl-, 1,3-thiazol-4-yl-, and 1,3-thiazol-5-yl-containing derivatives of N -arylalkyl- and N -carboxyalkyl-substituted rhodanines were…”
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Carboxylated chalcones and related flavonoids as inhibitors of xanthine oxidase by Kobzar, Oleksandr L., Tatarchuk, Alona V., Mrug, Galyna P., Bondarenko, Svitlana P., Demydchuk, Bohdan A., Frasinyuk, Mykhaylo S., Vovk, Andriy I.

“…Carboxylated chalcones and other related flavonoids were synthesized and evaluated as inhibitors of xanthine oxidase, which is a known target for synthetic and…”
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Phosphonate monoesters on a thiacalix[4]arene framework as potential inhibitors of protein tyrosine phosphatase 1B by Trush, Viacheslav V, Kharchenko, Sergiy G, Tanchuk, Vsevolod Yu, Kalchenko, Vitaly I, Vovk, Andriy I

“…Monoester derivatives of thiacalix[4]arene tetrakis(methylphosphonic) acid were found to be capable of inhibiting protein tyrosine phosphatase 1B. In addition,…”
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Inhibition of Xanthine Oxidase by Pyrazolone Derivatives Bearing a 4-(Furan-2-yl)benzoic Acid Moiety by Beiko, Alona V., Kobzar, Oleksandr L., Kachaeva, Maryna V., Pilyo, Stepan G., Tanchuk, Vsevolod Yu, Vovk, Andriy I.

“…The pyrazolone-based 4-(furan-2-yl)benzoic acids have been synthesized and studied as xanthine oxidase inhibitors. This enzyme is one of the therapeutic…”
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Fullerene derivatives as a new class of inhibitors of protein tyrosine phosphatases by Kobzar, Oleksandr L., Trush, Viacheslav V., Tanchuk, Vsevolod Yu, Zhilenkov, Alexander V., Troshin, Pavel A., Vovk, Andriy I.

“…In this study, we identified water-soluble C60 and C70 fullerene derivatives as a novel class of protein tyrosine phosphatase inhibitors. The evaluated…”
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Calix[4]arene methylenebisphosphonic acids as inhibitors of protein tyrosine phosphatase 1B by Trush, Viacheslav V., Cherenok, Sergiy O., Tanchuk, Vsevolod Yu, Kukhar, Valery P., Kalchenko, Vitaly I., Vovk, Andriy I.

“…Сalix[4]arenes bearing methylenebisphosphonic or hydroxymethylenebisphosphonic acid fragments at the wide rim of the macrocycle were studied as inhibitors of…”
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Synthesis and evaluation of new 2,6-diamino-5-hetarylpyrimidines as inhibitors of dihydrofolate reductase by Khilya, Olga V., Milokhov, Demyd S., Kononets, Lyudmyla A., Kobzar, Oleksandr L., Vovk, Andriy I., Volovenko, Yulian M.

“…Synthetic approaches for the preparation of 6-amino-5-hetarylpyrimidine derivatives by the ring transformation reaction of…”
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Inhibition of Yersinia protein tyrosine phosphatase by phosphonate derivatives of calixarenes by Vovk, Andriy I., Kononets, Lyudmyla A., Tanchuk, Vsevolod Yu, Cherenok, Sergiy O., Drapailo, Andriy B., Kalchenko, Vitaly I., Kukhar, Valery P.

“…Calix[4]arene and thiacalix[4]arene bearing phosphonic acid fragments at the wide rim of the macrocycle were found to be effective inhibitors of Yersinia…”
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Classification of Binding Site Conformations of Protein Tyrosine Phosphatase 1B by Tanchuk, Vsevolod Yu, Tanin, Volodymyr O., Vovk, Andriy I.

“…Hundred and two binding sites from 91 Protein Data Bank files for protein tyrosine phosphatase 1B with different ligands have been compared. It was found that…”
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Stereoselectivity of binding of α-( N-benzylamino)benzylphosphonic acids to prostatic acid phosphatase by Vovk, Andriy I., Mischenko, Iryna M., Tanchuk, Vsevolod Yu, Kachkovskii, Georgiy A., Sheiko, Sergiy Yu, Kolodyazhnyi, Oleg I., Kukhar, Valery P.

“…The evaluation of inhibitory activity of enantiomerically pure α-( N-benzylamino)benzylphosphonic acids toward human prostatic acid phosphatase is reported…”
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Antioxidant and antiradical activities of resorcinarene tetranitroxides by Vovk, Andriy I., Shivanyuk, Alexander M., Bugas, Roman V., Muzychka, Oxana V., Melnyk, Andriy K.

“…A resorcinarene oxazines bearing four TEMPO fragments at the wide rim exhibit a strong antiradical and antioxidant properties in model systems. Resorcinarene…”
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Calix[4]arene methylenebisphosphonic acids as calf intestine alkaline phosphatase inhibitors by Vovk, Andriy I, Kalchenko, Vitaly I, Cherenok, Sergey A, Kukhar, Valery P, Muzychka, Oxana V, Lozynsky, Myron O

“…Calix[4]arenes bearing one or two methylenebisphosphonic acid fragments were prepared via addition of diethylphosphite to the parent calix[4]arene aldehydes…”
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