Adsorption of charged protein residues on an inorganic nanosheet

Computer simulation of LDH interaction with ion channel

Alexey A. Tsukanov, Sergey G. Psakhie

Research output: Chapter in Book/Report/Conference proceedingConference contribution

3 Citations (Scopus)

Abstract

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.

Original languageEnglish
Title of host publicationPhysics of Cancer: Interdisciplinary Problems and Clinical Applications, PC 2016: Proceedings of the International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016
PublisherAmerican Institute of Physics Inc.
Volume1760
ISBN (Electronic)9780735414181
DOIs
Publication statusPublished - 2 Aug 2016
EventInternational Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016, PC 2016 - Tomsk, Russian Federation
Duration: 22 Mar 201625 Mar 2016

Conference

ConferenceInternational Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016, PC 2016
CountryRussian Federation
CityTomsk
Period22.3.1625.3.16

Fingerprint

hydroxides
computerized simulation
proteins
adsorption
electrostatics
interactions
disrupting
electric charge
medicine
clays
ions
adhesion
free energy
molecular dynamics
membranes
gradients
metals
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Tsukanov, A. A., & Psakhie, S. G. (2016). Adsorption of charged protein residues on an inorganic nanosheet: Computer simulation of LDH interaction with ion channel. In 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 (Vol. 1760). [020066] American Institute of Physics Inc.. https://doi.org/10.1063/1.4960285

Adsorption of charged protein residues on an inorganic nanosheet : Computer simulation of LDH interaction with ion channel. / Tsukanov, Alexey A.; Psakhie, Sergey G.

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. Vol. 1760 American Institute of Physics Inc., 2016. 020066.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Tsukanov, AA & Psakhie, SG 2016, Adsorption of charged protein residues on an inorganic nanosheet: Computer simulation of LDH interaction with ion channel. in 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. vol. 1760, 020066, American Institute of Physics Inc., International Conference on Physics of Cancer: Interdisciplinary Problems and Clinical Applications 2016, PC 2016, Tomsk, Russian Federation, 22.3.16. https://doi.org/10.1063/1.4960285
Tsukanov AA, Psakhie SG. Adsorption of charged protein residues on an inorganic nanosheet: Computer simulation of LDH interaction with ion channel. In 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. Vol. 1760. American Institute of Physics Inc. 2016. 020066 https://doi.org/10.1063/1.4960285
Tsukanov, Alexey A. ; Psakhie, Sergey G. / Adsorption of charged protein residues on an inorganic nanosheet : Computer simulation of LDH interaction with ion channel. 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. Vol. 1760 American Institute of Physics Inc., 2016.
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