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A Combined NMR and Computational Approach to Determine the RGDechi‐hCit‐αvβ3 Integrin Recognition Mode in Isolated Cell Membranes
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Dr. Biancamaria Farina Dr. Ivan de Paola Dr. Luigi Russo Dr. Domenica Capasso Dr. Annamaria Liguoro Dr. Annarita Del Gatto Dr. Michele Saviano Prof. Paolo V. Pedone Dr. Sonia Di Gaetano Dr. Gaetano Malgieri Dr. Laura Zaccaro Prof. Roberto Fattorusso 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(2):681-693
The critical role of integrins in tumor progression and metastasis has stimulated intense efforts to identify pharmacological agents that can modulate integrin function. In recent years, αvβ3 and αvβ5 integrin antagonists were demonstrated to be effective in blocking tumor progression. RGDechi‐hCit, a chimeric peptide containing a cyclic RGD motif linked to an echistatin C‐terminal fragment, is able to recognize selectively αvβ3 integrin both in vitro and in vivo. High‐resolution molecular details of the selective αvβ3 recognition of the peptide are certainly required, nonetheless RGDechi‐hCit internalization limited the use of classical in cell NMR experiments. To overcome such limitations, we used WM266 isolated cellular membranes to accomplish a detailed NMR interaction study that, combined with a computational analysis, provides significant structural insights into αvβ3 molecular recognition by RGDechi‐hCit. Remarkably, on the basis of the identified molecular determinants, we design a RGDechi‐hCit mutant that is selective for αvβ5 integrin. 相似文献
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Sonia Torrico-VallejosMauricio F. Erben Evamarie Hey-HawkinsCarlos O. Della Védova 《Tetrahedron letters》2011,52(41):5352-5354
Convenient simple and suitable methods for the synthesis of carbamates, N,N′-unsymmetrically disubstituted ureas, and S-alkyl thiocarbamates derived from CH3OC(O)SNCO in one-step are provided. Reactions are operationally simple and have high selectivity toward nitrogen, oxygen, and sulfur nucleophiles. The absence of solvents coupled with high yields and short reaction times make these procedures very attractive for synthesis. 相似文献
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Kansal Munish Cordero Alicia Bhalla Sonia Torregrosa Juan R. 《Numerical Algorithms》2021,87(3):1017-1060
Numerical Algorithms - In this paper, a two-step class of fourth-order iterative methods for solving systems of nonlinear equations is presented. We further extend the two-step class to establish a... 相似文献
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Kin Chung Lo 《Mathematical Social Sciences》2011,62(2):109-113
We formulate the permissibility concept (Brandenburger, 1992) in terms of general preference, and prove that the solution concept characterizes rationality, caution, and common “belief” of rationality and caution. 相似文献
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Karina Nesprias Mariángeles Iglesias Sonia Rivas Elida Alvarez Gastón Barreto Nora Eyler Adriana Cañizo 《国际化学动力学杂志》2011,43(11):657-666
Cyclic organic peroxides have interesting pharmacological properties and are used at industrial level as polyfunctional initiators of polymerization, and so their preparation through novel methods has attracted the attention of numerous researchers. White crystals of 4‐heptanone cyclic diperoxide (HDP) can be obtained in acidic media at ?1°C by a reaction between 4‐heptanone and hydrogen peroxide. Its thermal decomposition was studied in acetone, cyclohexane, acetonitrile, ethyl acetate, ethanol, 2‐propanol, 2‐butanol, and 1,4‐dioxane at temperatures higher than 120°C, showing a behavior accordingly with a pseudo‐first‐order kinetic law up to at least 80% HDP conversion. It was demonstrated that an increase in solvent polarity is accompanied by an increase in reaction rates. The effect of solvent polarity on the thermal decomposition rate constant values can be associated with a reaction mechanism involving a more dipolar‐activated complex than the diperoxide initial molecule. The activation parameters varied widely from 31.2 to 46.6 kcal mol?1 and ?1.33 to 31.7 cal mol?1 K?1 when going from ethanol to cyclohexane as reaction solvents, respectively. An enthalpy–entropy compensation effect was observed in all solvents. Specific interactions between the oxygen atoms from the peroxidic bond and the hydrogen atom bonded to C2 and/or from the OH group can be taken into account to explain that the existence of the compensation effect does not mean that an isokinetic relationship consequently can be established. The kinetic results showed that an isokinetic relationship is observed only for a group of solvents. © 2011 Wiley Periodicals, Inc. Int J Chem Kinet 43: 657–666, 2011 相似文献
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