Platinum polycarboxylate complexes with antitumor activity

Iordanskaya, L. I.; Stotskaya, L. L.; Kulabukhova, T. K.; Shchitkov, K. G.; Il'ina, A. I.

doi:10.1007/bf02219380

Cited by 3 publications

(5 citation statements)

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“…137 3 Значение e=40 выбрано ввиду того, что это наиболее высокая полярность в ряду >15 органических растворителей, которые на практике применяются в процессах синтеза ДВЭМА [1,3,5,12,[25][26][27][28], при этом типичные для данного случая растворители имеют e=2-4 (бензол, хлороформ) и 15-20 (кетоны), таблица 1. Более полярные протонные растворители, включая воду, химически активны в отношении ангидридных групп МА (рис.…”

Section: больщиков и дрunclassified

“…Однако нужно учитывать одну важную особенность и одно существенное обстоятельство. Во-первых, в случае 5-экзо-циклизованных радикалов D · (aA5) барьеры активации присоединения МА (16,(9)(10)(11)(12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22)(23)(24)(25),2 кДж/моль) значительно выше, чем таковые в случае 6-эндо-циклизованных D · (aA6) (1,2-10,7 кДж/моль) (рис. 6).…”

Section: расчётные и практические возможности регуляции изомерииunclassified

“…Развитие таких исследований имеет не "просто теоретический", а прямой практический интерес, имея под собой значимый экспериментальный задел коллег [1,2,[5][6][7][8][9][10][11][12][13][14][15] и нашей группы [3,4,[16][17][18][19][20][21][22][23][24] в области лекарственно-ориентированного дизайна и синтеза олигомеров ряда ДВЭМА DER . Отметим, в частности, высокую иммуностимулирующую противовирусную защиту in vivo от вирусов бешенства, клещевого энцефалита, крымской геморрагической лихорадки и др.…”

Section: заключение и выводыunclassified

“…Действительно, экспериментально полученные водорастворимые поликислоты, производные от ДВЭМА (X/Y=OH), способны проявлять высокий уровень биологической функциональности, включая индукцию интерферона [4][5][6][7], иммуностимулирующую и прямую противовирусную защиту [7][8][9][10]. Препараты "DIVEMA", известные в различных источниках под ещё более чем 100 наименованиями (синонимами) 1 , обнаруживают широкий потенциал разнообразного биомедицинского применения [10][11][12][13][14][15]. Авторы данной статьи имеют собственный опыт экспериментальных АНАЛИЗ ИЗОМЕРИЗАЦОННОЙ ЦИКЛОМИМИКРИИ ОЛИГОМЕРОВ "ДИВЭМА" 134 Рисунок 1.…”

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Modeling and theoretical analysis of ring specific mimicry in view of isomerism within medicinal promising oligomers of "DIVEMA"

Bolshchikov

Цветков²,

Alikhanova

et al. 2019

BIOMED KHIM

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The furan or pyran related hetero cycles play basic role in structural units of nucleic acids (NA) and polysaccharides (PS), significantly predetermining their functional specifics. Some of such properties, in great relevancy for medicine, can be imitated through mimicry of polymers synthetic. Particularly, a formation of similar cycloisomeric chains is possible in process of free-radical cyclocopolymerization of divinyl ether (DVE) and maleic anhydride (MA). The products yielded (DVEMA) of general formula [DVE(MA)-alt-MA]n become precursors for a broad family of water-soluble derivatives capable of wide spectrum of bioactivity, including induction of interferon, immune-stimulated and direct antiviral protection. In this connection, the knowledge: what is content of different heterocyclic isomers in backbone of the preparations and what their partial contributions in promotion of the certain bioactivities observed, are in great importance. Available experimental data (NMR, IR, etc.), controversial for interpretations, didn't elucidate a required estimation of the DVEMA isomerism. The current work represents an independent exploration of the problem via quantum chemistry-based analysis of kinetic (activation barriers) and thermodynamic (enthalpies) priorities in competition between variable isomerism within the chain synthesis. The system is considered in maximal range of hypothetically allowable variations of two levels for double regioselective bifurcations: there are four competitive ways, each of which involves a sequence of four type elementary reactions for a diverse-isomeric formation of chain units. A genesis of six chiral centers (62 stereoisomers permitted) per every of the four part ways was accounted in view for up to 256 isomeric variations in total. The required time-minimized but precisely accurate computations were conducted via B3LYP/6-31G(d), M06-2X/6-311+G(d), M06-2X/6-31+G(2df,p) techniques, which were preselected through model test-systems. As a result, the mechanisms, crucial points and factors for the process-permitted regulation of isomeric content of DVEMA were studied in details. The narrow enough set of most probable enantiomers within highly competitive 5-exo- and 6-endo- ring closing sub-ways was revealed. The results obtained are very actual for an adequate modeling (docking / molecular dynamics) of DVEMA derivatives in their interactions with biopolymer targets, in search for purposed advancement of current background in design and synthesis of highly effective agents for combined antiviral protection (against HIV, flu, herpes, and other infections).

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Section: больщиков и дрunclassified

Section: расчётные и практические возможности регуляции изомерииunclassified

Section: заключение и выводыunclassified

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Modeling and theoretical analysis of ring specific mimicry in view of isomerism within medicinal promising oligomers of "DIVEMA"

Bolshchikov

Цветков²,

Alikhanova

et al. 2019

BIOMED KHIM

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“…DVEMAN represents practically actual interest as origin for outstanding family of polymeric preparations (DIVEMA, Pyran Copolymer, Pyran, MVE‐2, NSC‐46015, etc.) with broad spectrum of biomedical applicability . Authors of the paper have their own background in design, synthesis, and development of DVEMAN‐derived inhibitors of HIV, influenza, herpes, and other human viruses …”

Section: Introductionmentioning

confidence: 99%

How to Fight Kinetics in Complex Radical Polymerization Processes: Theoretical Case Study of Poly(divinyl ether‐alt‐maleic anhydride)

Bolshchikov

Цветков

Alikhanova

et al. 2019

Macro Chemistry & Physics

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Products of free‐radical polymerization (FRP) are usually not regulated on the molecular scale, consisting of blocks obtained through the fastest kinetic scheme pathways. The side or kinetically restricted products can be a source of impurities in a complex FRP case, or possess new properties if isolated solely. FRP synthesis of poly(divinyl ether‐alt‐maleic anhydride), known as “DIVEMA”, serves as a polymerization example with such kinetic and thermodynamic complexities. Uncertainty in factors regulating polymer structure is a challenge in advancement “DIVEMA” derivatives toward medical practice. In‐depth investigation via quantum‐chemical and molecular mechanics methods unveils mechanistic aspects of polymer stereoisomerism and confirms possible isolation of thermodynamically or kinetically controlled products on a large data set. Strategies toward regulation of 5‐exo/6‐endo cycloisomerism are theorized and then studied via microkinetic modeling. Thermodynamically controlled products can be isolated utilizing lower monomer concentrations, in range of 10−3 to 10−1 m, and/or application of a complexing agent that is better to realize via solvents, capable of formation π‐ and σ‐radical complexes. Change of electrophilic monomer is proposed as an approach for designing more molecularscale adjustable copolymerization processes. Methodology, obtained results, and conclusions for “DIVEMA” can be valuable to control other FRP processes on the molecular scale, unlocking polymers with improved or new functionalities.

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Practical procedure for a theoretical investigation of thermodynamics and kinetics aspects of different-scale radical reactions from addition and cyclization to cyclocopolymerization involving maleic anhydride and divinyl ether

Bolshchikov

Цветков

Serbin

2018

Polymer

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Platinum polycarboxylate complexes with antitumor activity

Cited by 3 publications

References 2 publications

Modeling and theoretical analysis of ring specific mimicry in view of isomerism within medicinal promising oligomers of "DIVEMA"

Modeling and theoretical analysis of ring specific mimicry in view of isomerism within medicinal promising oligomers of "DIVEMA"

How to Fight Kinetics in Complex Radical Polymerization Processes: Theoretical Case Study of Poly(divinyl ether‐alt‐maleic anhydride)

Practical procedure for a theoretical investigation of thermodynamics and kinetics aspects of different-scale radical reactions from addition and cyclization to cyclocopolymerization involving maleic anhydride and divinyl ether

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