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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Modeling the coverage of an AFM tip by enzymes and its application in nanobiosensors

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Author(s):
Amarante, Adriano M. [1] ; Oliveira, Guedmiller S. [1] ; Bueno, Carolina C. [1] ; Cunha, Richard A. [2] ; Ierich, Jessica C. M. [1] ; Freitas, Luiz C. G. [3] ; Franca, Eduardo F. [2] ; Oliveira, Jr., Osvaldo N. [4] ; Leite, Fabio L. [1]
Total Authors: 9
Affiliation:
[1] Univ Fed Sao Carlos, Dept Phys Chem & Math, Nanoneurobiophys Res Grp, BR-18052780 Sorocaba, SP - Brazil
[2] Univ Fed Uberlandia, Inst Chem, BR-38400902 Uberlandia, MG - Brazil
[3] Univ Fed Sao Carlos, Dept Chem, BR-13565905 Sao Carlos, SP - Brazil
[4] Univ Sao Paulo, Sao Carlos Inst Phys, BR-13566590 Sao Carlos, SP - Brazil
Total Affiliations: 4
Document type: Journal article
Source: JOURNAL OF MOLECULAR GRAPHICS & MODELLING; v. 53, p. 100-104, SEP 2014.
Web of Science Citations: 13
Abstract

A stochastic simulation of adsorption processes was developed to simulate the coverage of an atomic force microscope (AFM) tip with enzymes represented as rigid polyhedrons. From geometric considerations of the enzyme structure and AFM tip, we could estimate the average number of active sites available to interact with substrate molecules in the bulk. The procedure was exploited to determine the interaction force between acetyl-CoA carboxylase enzyme (ACC enzyme) and its substrate diclofop, for which steered molecular dynamics (SMD) was used. The theoretical force of (1.6 +/- 0.5) nN per enzyme led to a total force in remarkable agreement with the experimentally measured force with AFM, thus demonstrating the usefulness of the procedure proposed here to assist in the interpretation of nanobiosensors experiments. (C) 2014 Elsevier Inc. All rights reserved. (AU)

FAPESP's process: 13/09746-5 - DEVELOPMENT OF NANOBISENSORS USING ADVANCED COMPUTATIONAL TECHNIQUES
Grantee:Guedmiller Souza de Oliveira
Support Opportunities: Scholarships in Brazil - Post-Doctoral
FAPESP's process: 10/04599-6 - Development of nanobiosensors based on Intelligent surfaces
Grantee:Aline Cristine Nanuh da Silva
Support Opportunities: Scholarships in Brazil - Master
FAPESP's process: 07/05089-9 - Development of nanobiosensors using atomic force spectroscopy: application for detecting pesticides
Grantee:Fabio de Lima Leite
Support Opportunities: Research Grants - Young Investigators Grants
FAPESP's process: 08/57859-5 - Biorrational control of insect pests
Grantee:Maria Fátima das Graças Fernandes da Silva
Support Opportunities: Research Projects - Thematic Grants