Evaluation the synergistic antitumor effect of methotrexate–camptothecin codelivery prodrug from self‐assembly process to acid‐catalyzed both drugs release: A comprehensive theoretical study

Lipid–polymer hybrid nanoparticles as a next-generation drug delivery platform: state of the art, emerging technologies, and perspectives

(2019) Anubhab Mukherjee et al.   International Journal of Nanomedicine

Enhanced Lysosomal Escape of pH-Responsive Polyethylenimine–Betaine Functionalized Carbon Nanotube for the Codelivery of Survivin Small Interfering RNA and Doxorubicin

(2019) Yue Cao et al.   ACS Applied Materials & Interfaces

Redox dual-responsive paclitaxel-doxorubicin heterodimeric prodrug self-delivery nanoaggregates for more effective breast cancer synergistic combination chemotherapy

(2019) Yingli Wang et al.   Nanomedicine-Nanotechnology Biology and Medicine

Enhance the efficiency of 5-fluorouracil targeted delivery by using a prodrug approach as a novel strategy for prolonged circulation time and improved permeation

(2019) Samaneh Pasban et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Dopamine and Caffeine Encapsulation within Boron Nitride (14,0) Nanotubes: Classical Molecular Dynamics and First Principles Calculations

(2018) Dolores García-Toral et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A molecular electron density theory study on the [3+2] cycloaddition reaction of thiocarbonyl ylides with hetaryl thioketones

(2018) Afsaneh Asr et al.   NEW JOURNAL OF CHEMISTRY

Targeted and synergistic therapy for hepatocellular carcinoma: monosaccharide modified lipid nanoparticles for the co-delivery of doxorubicin and sorafenib

(2018) Wendu Duan et al.   Drug Design Development and Therapy

Covalently mucoadhesive amphiphilic prodrug of 5-fluorouracil for enhanced permeation and improved oral absorption

(2018) Yan Liu et al.   Drug Delivery and Translational Research

Side effects of methotrexate therapy for rheumatoid arthritis: A systematic review

(2018) Wanying Wang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Catalytic Reaction Mechanism for Drug Metabolism in Human Carboxylesterase-1: Cocaine Hydrolysis Pathway

(2018) Jianzhuang Yao et al.   MOLECULAR PHARMACEUTICS

Combination of chemotherapy and Au-nanoparticle photothermy in the visible light to tackle doxorubicin resistance in cancer cells

(2018) Pedro Pedrosa et al.   Scientific Reports

Carrier-free nanoparticles of cathepsin B-cleavable peptide-conjugated doxorubicin prodrug for cancer targeting therapy

(2018) Man Kyu Shim et al.   JOURNAL OF CONTROLLED RELEASE

Codelivery of Hydrophobic and Hydrophilic Drugs by Graphene-Decorated Magnetic Dendrimers

(2018) Ali Pourjavadi et al.   LANGMUIR

Prodrug approach: An overview of recent cases

(2017) Valentina Abet et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Noncovalent interactions between cisplatin and graphene prototypes

(2017) Ma del Refugio Cuevas-Flores et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

An Experimental Analysis of the Molecular Effects of Trastuzumab (Herceptin) and Fulvestrant (Falsodex), as Single Agents or in Combination, on Human HR+/HER2+ Breast Cancer Cell Lines and Mouse Tumor Xenografts

(2017) Qing Chen et al.   PLoS One

High-temperature dynamic behavior in bulk liquid water: A molecular dynamics simulation study using the OPC and TIP4P-Ew potentials

(2017) Andrea Gabrieli et al.   Frontiers of Physics

Overcoming resistance to single-agent therapy for oncogenic BRAF gene fusions via combinatorial targeting of MAPK and PI3K/mTOR signaling pathways

(2017) Payal Jain et al.   Oncotarget

Polymeric prodrug combination to exploit the therapeutic potential of antimicrobial peptides against cancer cells

(2016) G. J. Kelly et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Co-delivery of doxorubicin and curcumin by pH-sensitive prodrug nanoparticle for combination therapy of cancer

(2016) Yumin Zhang et al.   Scientific Reports

Hydrogen-bonding Interactions between Apigenin and Ethanol/Water: A Theoretical Study

(2016) Yan-Zhen Zheng et al.   Scientific Reports

Acid-catalyzed carboxylic acid esterification and ester hydrolysis mechanism: acylium ion as a sharing active intermediate via a spontaneous trimolecular reaction based on density functional theory calculation and supported by electrospray ionization-mass spectrometry

(2015) Hongchang Shi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Self-assembly of dipeptide sodium salts derived from alanine: a molecular dynamics study

(2015) Jichao Sun et al.   RSC Advances

Programmed Hydrolysis in Designing Paclitaxel Prodrug for Nanocarrier Assembly

(2015) Q. Fu et al.   Scientific Reports

Enhanced solubility and modified release of poorly water-soluble drugs via self-assembled gelatin–oleic acid nanoparticles

(2013) Phuong Ha-Lien Tran et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Revealing non-covalent interactions in solids: NCI plots revisited

(2012) Alberto Otero-de-la-Roza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   Journal of Chemical Theory and Computation

SwissParam: A fast force field generation tool for small organic molecules

(2011) Vincent Zoete et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Stability of Self-Assembled Polymeric Micelles in Serum

(2011) Jiao Lu et al.   MACROMOLECULES

Reaction Mechanism of Monoethanolamine with CO2in Aqueous Solution from Molecular Modeling

(2010) Hong-Bin Xie et al.   JOURNAL OF PHYSICAL CHEMISTRY A

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH