[HTML][HTML] The asymmetry of plasma membranes and their cholesterol content influence the uptake of cisplatin

T Rivel, C Ramseyer, S Yesylevskyy - Scientific reports, 2019 - nature.com
The composition of the plasma membrane of malignant cells is thought to influence the
cellular uptake of cisplatin and to take part in developing resistance to this widespread anti …

The trans effect in square‐planar platinum (II) complexes—A density functional study

Z Chval, M Sip, JV Burda - Journal of computational chemistry, 2008 - Wiley Online Library
The mechanism of substitution water exchange reactions in square planar trans‐Pt [(NH3)
2T (H2O)] n+ complexes is studied (T H2O, NH3, OH−, F−, Cl−, Br−, H2S, CH3S−, SCN …

Solvent Effects and Dynamic Averaging of 195Pt NMR Shielding in Cisplatin Derivatives

LA Truflandier, K Sutter, J Autschbach - Inorganic chemistry, 2011 - ACS Publications
The influences of solvent effects and dynamic averaging on the 195Pt NMR shielding and
chemical shifts of cisplatin and three cisplatin derivatives in aqueous solution were …

A Novel hybrid of chloroquine and primaquine linked by Gold (I): Multitarget and multiphase antiplasmodial agent

C de Souza Pereira, H Costa Quadros… - …, 2021 - Wiley Online Library
Plasmodium parasites kill 435 000 people around the world every year due to unavailable
vaccines, a limited arsenal of antimalarial drugs, delayed treatment, and the reduced clinical …

A modern solvation theory: quantum chemistry and statistical chemistry

H Sato - Physical Chemistry Chemical Physics, 2013 - pubs.rsc.org
This perspective highlights recent developments in the field of statistical mechanics for
molecular liquids, ie the integral equation (IE) theory, especially focusing on hybrid …

Cisplatin interaction with cysteine and methionine in aqueous solution: computational DFT/PCM study

T Zimmermann, Z Chval, JV Burda - The Journal of Physical …, 2009 - ACS Publications
In this paper we explore cisplatin interactions with sulfur-containing amino acids in a
polarizable continuum model. Two cisplatin hydrated complexes were considered as …

Molecular dynamics study of cisplatin release from carbon nanotubes capped by magnetic nanoparticles

T Panczyk, A Jagusiak, G Pastorin… - The Journal of …, 2013 - ACS Publications
The release dynamics of cisplatin from the interior of a carbon nanotube is studied using
molecular dynamics simulations. The nanotube is initially capped by magnetic nanoparticles …

How can the cisplatin analogs with different amine act on DNA during cancer treatment theoretically?

A Rahiminezhad, ME Moghadam, A Divsalar… - Journal of Molecular …, 2022 - Springer
Cisplatin is a widely used anti-cancer drug which inhibits the replication and polymerization
of DNA molecule while showing some side effects and drug resistance. For this reason, to …

Delivery of cisplatin anti-cancer drug from carbon, boron nitride, and silicon carbide nanotubes forced by Ag-nanowire: a comprehensive molecular dynamics study

E Mehrjouei, H Akbarzadeh, AN Shamkhali… - Molecular …, 2017 - ACS Publications
In this work, liberation of cisplatin molecules from interior of a nanotube due to entrance of
an Ag-nanowire inside it was simulated by classical molecular dynamics method. The aim of …

Estimation of transition-metal empirical parameters for molecular mechanical force fields

F Sebesta, V Sláma, J Melcr, Z Futera… - Journal of chemical …, 2016 - ACS Publications
Force-field parameters of the first row transition metals together with a few additional
common elements such as those from the second (Rh, Ru) and third (Hg, Pt) rows of …