Predicting the binding properties of single walled carbon nanotubes (SWCNT) with an ADP/ATP mitochondrial carrier using molecular docking, chemoinformatics, and nano-QSBR perturbation theory-Reference-Cited by-同舟云学术

Predicting the binding properties of single walled carbon nanotubes (SWCNT) with an ADP/ATP mitochondrial carrier using molecular docking, chemoinformatics, and nano-QSBR perturbation theory

Published:2016 Issue:63 Volume:6 Page:58680-58693
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

González-Durruthy Michael¹²³⁴³,Werhli Adriano V.⁵³⁶³,Cornetet Luisa⁵³⁶³,Machado Karina S.⁵³⁶³,González-Díaz Humberto⁷⁸⁹¹⁰¹¹^ORCID,Wasiliesky Wilson¹²¹³³,Ruas Caroline Pires¹⁴¹³³,Gelesky Marcos A.¹⁴¹³³,Monserrat José M.¹²³⁴³

Affiliation:

1. Instituto de Ciências Biológicas (ICB) – Universidade Federal do Rio Grande-FURG

2. Rio Grande

3. Brazil

4. Programa de Pós-Graduação em Ciências Fisiológicas-Fisiologia Animal Comparada-ICB-FURG

5. Centro de Ciências Computacionais (C3) – Universidade Federal do Rio Grande-FURG

6. Programa de Pós-Graduação em Computação-C3-FURG

7. Department of Organic Chemistry II

8. Faculty of Science and Technology

9. University of the Basque Country UPV/EHU

10. Leioa

11. Spain

12. Instituto de Oceanografia (IO)

13. FURG

14. Programa de Pós-graduação em Química Tecnológica e Ambiental

Abstract

Interactions between single walled carbon nanotubes (SWCNT) family with mitochondrial ADP/ATP carrier (ANT-1) were evaluated using constitutional and electronic nanodescriptors defined by (n, m)-Hamada indexes (armchair, zig-zag and chiral).

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA08883J

Reference54 articles.

1. Carbon nanotubes as functional excipients for nanomedicines: II. Drug delivery and biocompatibility issues

2. Mechanisms of carbon nanotube-induced toxicity: Focus on oxidative stress

3. Computational methods for biomolecular docking