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Interaction of local anesthetics with biological membranes by molecular dynamics simulations


This proposal aims at the implementation of a new research line in the field of computer simulations, inside the Jovem Pesquisador Program of FAPESP. It will be developed with the biomembranes group, headed by Prof. Eneida de Paula, at the Biochemistry Department of the Institute of Biology of UNICAMP. In this project, we propose to use computer simulations techniques to investigate, at the microscopic level, the interaction of local anesthetics with biological membranes. The study will focus the structural and dynamical properties (at the nanosecond time scale) of lipid bilayers and liposome at the biologically relevant phases. The project explores inter/multidisciplinary approach for the investigation of biological phenomena, where we combine competences from physics, biochemistry, and computer simulations. With this approach we expect to develop a scientifically rich environment for the researchers and students. (AU)

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Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
PICKHOLZ, MONICA; FRACETO, LEONARDO FERNANDES; DE PAULA, ENEIDA. Preferential location of prilocaine and etidocaine in phospholipid bilayers: A molecular dynamics study. Synthetic Metals, v. 159, n. 21-22, SI, p. 2157-2158, . (06/00121-9, 06/02523-7)
CABECA, LUIS F.; PICKHOLZ, MONICA; DE PAULA, ENEIDA; MARSAIOLI, ANITA J.. Liposome-Prilocaine Interaction Mapping Evaluated through STD NMR and Molecular Dynamics Simulations. Journal of Physical Chemistry B, v. 113, n. 8, p. 2365-2370, . (06/00121-9, 06/02523-7)
PICKHOLZ, MONICA; GIUPPONI, GIOVANNI. Coarse Grained Simulations of Local Anesthetics Encapsulated into a Liposome. Journal of Physical Chemistry B, v. 114, n. 20, p. 7009-7015, . (06/02523-7)

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