Molecular dynamics assessment of doxorubicin–carbon nanotubes molecular interactions for the design of drug delivery systems

Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR

(2017) Yvonne Westermaier et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

A DFT study on the geometry, tautomerism and noncovalent interactions of the Mepivacaine drug with the pristine SWCNT and –COOH functionalized SWCNT

(2017) S. Ali Beyramabadi et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Inhibition of prostate cancer growth using doxorubicin assisted by ultrasound-targeted nanobubble destruction

(2016) Xiaozhou Fan et al.   International Journal of Nanomedicine

Development of a bone-targeted pH-sensitive liposomal formulation containing doxorubicin: physicochemical characterization, cytotoxicity, and biodistribution evaluation in a mouse model of bone metastasis

(2016) Monica Cristina Oliveira et al.   International Journal of Nanomedicine

Carbon nanotubes as cancer therapeutic carriers and mediators

(2016) Kuk Hui Son et al.   International Journal of Nanomedicine

Adsorption and Self-Assembly of Anticancer Antibiotic Doxorubicin on Single-Walled Carbon Nanotubes

(2016) Andrés Rodríguez-Galván et al.   NANO

Hydrogen physisorption energies for bumpy, saturated, nitrogen-doped single-walled carbon nanotubes

(2016) M. Leonor Contreras et al.   STRUCTURAL CHEMISTRY

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

(2015) Samuel Genheden et al.   Expert Opinion on Drug Discovery

Molecular dynamics simulation of doxorubicin adsorption on a bundle of functionalized CNT

(2015) Akram Izadyar et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Multifunctional hybrid-carbon nanotubes: new horizon in drug delivery and targeting

(2015) Neelesh Kumar Mehra et al.   JOURNAL OF DRUG TARGETING

Correlation of Drug and Carbon Nanotube Size in Encapsulation and Free Energy Calculation: A Molecular Insight

(2015) Maryam Ghadamgahi et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

How structural parameters affect the reactivity of saturated and non-saturated nitrogen-doped single-walled carbon nanotubes of different chiralities: a density functional theory approach

(2014) M. Leonor Contreras et al.   STRUCTURAL CHEMISTRY

Evaluating the hydrogen chemisorption and physisorption energies for nitrogen-containing single-walled carbon nanotubes with different chiralities: a density functional theory study

(2013) M. Leonor Contreras et al.   STRUCTURAL CHEMISTRY

Synergistic anticancer effect of RNAi and photothermal therapy mediated by functionalized single-walled carbon nanotubes

(2012) Lei Wang et al.   BIOMATERIALS

Functionalization of single-walled carbon nanotubes enables efficient intracellular delivery of siRNA targeting MDM2 to inhibit breast cancer cells growth

(2012) Hailong Chen et al.   BIOMEDICINE & PHARMACOTHERAPY

Computational algorithms for fast-building 3D carbon nanotube models with defects

(2012) M. Leonor Contreras et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Optimizing Solute–Water van der Waals Interactions To Reproduce Solvation Free Energies

(2012) Paul S. Nerenberg et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The big picture on nanomedicine: the state of investigational and approved nanomedicine products

(2012) Michael L. Etheridge et al.   Nanomedicine-Nanotechnology Biology and Medicine

Polymeric nanohybrids and functionalized carbon nanotubes as drug delivery carriers for cancer therapy

(2011) Satya Prakash et al.   ADVANCED DRUG DELIVERY REVIEWS

Single walled carbon nanotubes as drug delivery vehicles: Targeting doxorubicin to tumors

(2011) Lingjie Meng et al.   BIOMATERIALS

High reactivity of metal-free nitrogen-doped carbon nanotube for the C–H activation

(2011) Xingbang Hu et al.   CHEMICAL PHYSICS LETTERS

Nitrogen-Doped Carbon Nanotubes as a Highly Active Metal-Free Catalyst for Selective Oxidation

(2011) Kambiz Chizari et al.   ChemSusChem

Understanding the Molecular Properties of Doxorubicin Filling Inside and Wrapping Outside Single-Walled Carbon Nanotubes

(2011) Purinchaya Sornmee et al.   Journal of Computational and Theoretical Nanoscience

Crucial Parameters Responsible for Carbon Nanotubes Toxicity

(2010) Tapas Nayak et al.   Current Nanoscience

Advancement in carbon nanotubes: basics, biomedical applications and toxicity

(2010) Sarwar Beg et al.   JOURNAL OF PHARMACY AND PHARMACOLOGY

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Supramolecular Stacking of Doxorubicin on Carbon Nanotubes for In Vivo Cancer Therapy

(2009) Zhuang Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Targeted delivery and controlled release of doxorubicin to cancer cells using modified single wall carbon nanotubes

(2009) Xiaoke Zhang et al.   BIOMATERIALS

Triple functionalisation of single-walled carbon nanotubes with doxorubicin, a monoclonal antibody, and a fluorescent marker for targeted cancer therapy

(2009) Elena Heister et al.   CARBON

Doxorubicin: The Good, the Bad and the Ugly Effect

(2009) Cristina Carvalho et al.   CURRENT MEDICINAL CHEMISTRY

Carbon nanotubes in biology and medicine: In vitro and in vivo detection, imaging and drug delivery

(2009) Zhuang Liu et al.   Nano Research

Nitrogen-Doped Carbon Nanotube Arrays with High Electrocatalytic Activity for Oxygen Reduction

(2009) K. Gong et al.   SCIENCE

Functionalized Carbon Nanotubes in Drug Design and Discovery

(2007) Maurizio Prato et al.   ACCOUNTS OF CHEMICAL RESEARCH