• Home
  • Search
  • MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors.
  • Cite Icon15
  • https://doi.org/10.1021/acs.jcim.8b00631Copy DOI Icon

MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors.

Show More
  • Abstract
  • Literature Map
  • References
  • Citations
  • Similar Papers
Abstract

Recently, it has been suggested that the mitochondrial oligomycin A-sensitive F0-ATPase subunit is an uncoupling channel linked to apoptotic cell death, and as such, the toxicological inhibition of mitochondrial F0-ATP hydrolase can be an interesting mitotoxicity-based therapy under pathological conditions. In addition, carbon nanotubes (CNTs) have been shown to offer higher selectivity like mitotoxic-targeting nanoparticles. In this work, linear and nonlinear classification algorithms on structure-toxicity relationships with artificial neural network (ANN) models were set up using the fractal dimensions calculated from CNTs as a source of supramolecular chemical information. The potential ability of CNT-family members to induce mitochondrial toxicity-based inhibition of the mitochondrial H+-F0F1-ATPase from in vitro assays was predicted. The attained experimental data suggest that CNTs have a strong ability to inhibit the F0-ATPase active-binding site following the order oxidized-CNT (CNT-COOH > CNT-OH) > pristine-CNT and mimicking the oligomycin A mitotoxicity behavior. Meanwhile, the performance of the ANN models was found to be improved by including different nonlinear combinations of the calculated fractal scanning electron microscopy (SEM) nanodescriptors, leading to models with excellent internal accuracy and predictivity on external data to classify correctly CNT-mitotoxic and nonmitotoxic with specificity (Sp > 98.9%) and sensitivity (Sn > 99.0%) from ANN models compared with linear approaches (LNN) with Sp ≈ Sn > 95.5%. Finally, the present study can contribute toward the rational design of carbon nanomaterials and opens new opportunities toward mitochondrial nanotoxicology-based in silico models.

Similar Papers
  • Research Article
  • Citations24

Multivariate regression (MVR) and different artificial neural network (ANN) models developed for optical transparency of conductive polymer nanocomposite films

  • Jun 26, 2022
  • Expert Systems with Applications
  • Barış Demirbay +2
  • Research Article
  • Citations36

An investigation on generalization ability of artificial neural networks and M5 model tree in modeling reference evapotranspiration

  • Aug 09, 2015
  • Theoretical and Applied Climatology
  • Ozgur Kisi +1
  • PDF
  • Research Article
  • Citations147

Prediction of Sodium Hazard of Irrigation Purpose using Artificial Neural Network Modelling

  • May 05, 2023
  • Sustainability
  • Vinay Kumar Gautam +6
  • Research Article
  • Citations194

Monthly river flow forecasting using artificial neural network and support vector regression models coupled with wavelet transform

  • Nov 28, 2012
  • Computers & Geosciences
  • Aman Mohammad Kalteh
  • PDF
  • Research Article
  • Citations5

Machine Learning for the Prediction of Synchronous Organ-Specific Metastasis in Patients With Lung Cancer.

  • May 13, 2022
  • Frontiers in Oncology
  • Huan Gao +4
  • Research Article

A Time Dependent Neural Network Model for the Prediction and Forecasting of Bitcoin Price

  • Nov 14, 2024
  • African Journal of Mathematics and Statistics Studies
  • Agbedeyi, O D +2
  • Research Article
  • Citations22

Modeling of needle penetration force in denim fabric

  • Nov 11, 2013
  • International Journal of Clothing Science and Technology
  • Ezzatollah Haghighat +2
  • Research Article
  • Citations22

Predicting two-year quality of life after breast cancer surgery using artificial neural network and linear regression models

  • Jul 27, 2012
  • Breast Cancer Research and Treatment
  • Hon-Yi Shi +5
  • PDF
  • Research Article
  • Citations17

Estimation and Mapping of Solar Irradiance for Korea by Using COMS MI Satellite Images and an Artificial Neural Network Model

  • Jan 07, 2020
  • Energies
  • Younghyun Koo +3
  • Research Article
  • Citations13

Analyzing truck accident data on the interurban road Ankara–Aksaray–Eregli in Turkey: Comparing the performances of negative binomial regression and the artificial neural networks models

  • Sep 06, 2017
  • Journal of Transportation Safety & Security
  • Funda Ture Kibar +2
  • Research Article
  • Citations16

Hydraulic performance of labyrinth-channel emitters: experimental study, ANN, and GEP modeling

  • Aug 31, 2019
  • Irrigation Science
  • Mohamed A Mattar +4
  • Research Article
  • Citations11

A comparative study between LSSVM, LSTM, and ANN in predicting the unconfined compressive strength of virgin fine-grained soil

  • May 20, 2025
  • Frontiers in Built Environment
  • Jitendra Khatti +2
  • Research Article
  • Citations99

Performance of radial basis and LM-feed forward artificial neural networks for predicting daily watershed runoff

  • Jul 25, 2013
  • Applied Soft Computing
  • Mohammad Zounemat-Kermani +2
  • Conference Article
  • Citations5

An intelligent hybrid forecasting model for short-term traffic flow

  • Jul 01, 2010
  • Shen Guo-Jiang
  • Book Chapter
  • Citations2

Artificial Neural Networks Modeling to Reduce Industrial Air Pollution

  • Jan 01, 2009
  • Zvi Boger
Cactus Communications logo

Copyright 2026 Cactus Communications. All rights reserved.