Adsorption of charged protein residues on an inorganic nanosheet: Computer simulation of LDH interaction with ion channel

Alexey A. Tsukanov, Sergey G. Psakhie

Результат исследований: Материалы для книги/типы отчетовМатериалы для конференции

3 Цитирования (Scopus)

Аннотация

Quasi-two-dimensional and hybrid nanomaterials based on layered double hydroxides (LDH), cationic clays, layered oxyhydroxides and hydroxides of metals possess large specific surface area and strong electrostatic properties with permanent or pH-dependent electric charge. Such nanomaterials may impact cellular electrostatics, changing the ion balance, pH and membrane potential. Selective ion adsorption/exchange may alter the transmembrane electrochemical gradient, disrupting potential-dependent cellular processes. Cellular proteins as a rule have charged residues which can be effectively adsorbed on the surface of layered hydroxide based nanomaterials. The aim of this study is to attempt to shed some light on the possibility and mechanisms of protein "adhesion" an LDH nanosheet and to propose a new direction in anticancer medicine, based on physical impact and strong electrostatics. An unbiased molecular dynamics simulation was performed and the combined process free energy estimation (COPFEE) approach was used.

Язык оригиналаАнглийский
Название основной публикацииPhysics of Cancer: Interdisciplinary Problems and Clinical Applications, PC 2016: Proceedings of the International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016
ИздательAmerican Institute of Physics Inc.
Том1760
ISBN (электронное издание)9780735414181
DOI
СостояниеОпубликовано - 2 авг 2016
СобытиеInternational Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016, PC 2016 - Tomsk, Российская Федерация
Продолжительность: 22 мар 201625 мар 2016

Конференция

КонференцияInternational Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016, PC 2016
СтранаРоссийская Федерация
ГородTomsk
Период22.3.1625.3.16

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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  • Цитировать

    Tsukanov, A. A., & Psakhie, S. G. (2016). Adsorption of charged protein residues on an inorganic nanosheet: Computer simulation of LDH interaction with ion channel. В Physics of Cancer: Interdisciplinary Problems and Clinical Applications, PC 2016: Proceedings of the International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016 (Том 1760). [020066] American Institute of Physics Inc.. https://doi.org/10.1063/1.4960285