Molecular dynamics simulations in drug discovery and pharmaceutical development

OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin… - Processes, 2020 - mdpi.com
Molecular dynamics (MD) simulations have become increasingly useful in the modern drug
development process. In this review, we give a broad overview of the current application …

Insight into cellular uptake and intracellular trafficking of nanoparticles

P Foroozandeh, AA Aziz - Nanoscale research letters, 2018 - Springer
Nanoparticle science is rapidly changing the landscape of various scientific fields and
defining new technological platforms. This is perhaps even more evident in the field of …

Nanomaterials in the environment, human exposure pathway, and health effects: A review

A Malakar, SR Kanel, C Ray, DD Snow… - Science of the Total …, 2021 - Elsevier
Nanomaterials (NMs), both natural and synthetic, are produced, transformed, and exported
into our environment daily. Natural NMs annual flux to the environment is around 97% of the …

An updated overview on metal nanoparticles toxicity

S Medici, M Peana, A Pelucelli, MA Zoroddu - Seminars in cancer biology, 2021 - Elsevier
Although thousands of different nanoparticles (NPs) have been identified and synthesized to
date, well-defined, consistent guidelines to control their exposure and evaluate their …

Cellular uptake of nanoparticles: journey inside the cell

S Behzadi, V Serpooshan, W Tao, MA Hamaly… - Chemical society …, 2017 - pubs.rsc.org
Nanoscale materials are increasingly found in consumer goods, electronics, and
pharmaceuticals. While these particles interact with the body in myriad ways, their beneficial …

Form follows function: nanoparticle shape and its implications for nanomedicine

C Kinnear, TL Moore, L Rodriguez-Lorenzo… - Chemical …, 2017 - ACS Publications
This review is a comprehensive description of the past decade of research into
understanding how the geometry and size of nanoparticles affect their interaction with …

Toxicity of copper oxide nanoparticles: a review study

S Naz, A Gul, M Zia - IET nanobiotechnology, 2020 - Wiley Online Library
Copper oxide nanoparticles (CuO NPs) use has exponentially increased in various
applications (such as industrial catalyst, gas sensors, electronic materials, biomedicines …

Property–activity relationship of black phosphorus at the nano–bio interface: from molecules to organisms

G Qu, T Xia, W Zhou, X Zhang, H Zhang, L Hu… - Chemical …, 2020 - ACS Publications
As a novel member of the two-dimensional nanomaterial family, mono-or few-layer black
phosphorus (BP) with direct bandgap and high charge carrier mobility is promising in many …

Perspective on the Martini model

SJ Marrink, DP Tieleman - Chemical Society Reviews, 2013 - pubs.rsc.org
The Martini model, a coarse-grained force field for biomolecular simulations, has found a
broad range of applications since its release a decade ago. Based on a building block …

The in vitro and in vivo toxicity of gold nanoparticles

YP Jia, BY Ma, XW Wei, ZY Qian - Chinese Chemical Letters, 2017 - Elsevier
Gold nanoparticles, owing to their unique physicochemical and optical properties, well-
established synthetic methods and easy modifications, have been widely used in biomedical …