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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.)

Molecular modeling of enzyme attachment on AFM probes

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Author(s):
Oliveira, Guedmiller S. [1] ; Leite, Fabio L. [2] ; Amarante, Adriano M. [2] ; Franca, Eduardo F. [3] ; Cunha, Richard A. [3] ; Briggs, James M. [4] ; Freitas, Luiz C. G. [1]
Total Authors: 7
Affiliation:
[1] Univ Fed Sao Carlos, Dept Chem, BR-13565905 Sao Carlos, SP - Brazil
[2] Univ Fed Sao Carlos, Dept Phys Chem & Math, Nanoneurobiophys Res Grp, BR-18052780 Sorocaba, SP - Brazil
[3] Univ Fed Uberlandia, Inst Chem, BR-38400902 Uberlandia, MG - Brazil
[4] Univ Houston, Dept Biol & Biochem, Houston, TX 77204 - USA
Total Affiliations: 4
Document type: Journal article
Source: JOURNAL OF MOLECULAR GRAPHICS & MODELLING; v. 45, p. 128-136, SEP 2013.
Web of Science Citations: 6
Abstract

The immobilization of enzymes on atomic force microscope tip (AFM tip) surface is a crucial step in the development of nanobiosensors to be used in detection process. In this work, an atomistic modeling of the attachment of the acetyl coenzyme A carboxylase (ACC enzyme) on a functionalized AFM tip surface is proposed. Using electrostatic considerations, suitable enzyme surface orientations with the active sites of the ACC enzyme available for interactions with bulk molecules were found. A 50 ns molecular dynamics trajectory in aqueous solution was obtained and surface contact area, hydrogen bonding and protein stability were analyzed. The enzyme surface model proposed here with minor adjustment can be applied to study antigen antibody interactions as well as enzyme immobilization on silica for chromatography applications. (C) 2013 Elsevier Inc. All rights reserved. (AU)

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