[HTML][HTML] Sampling errors in free energy simulations of small molecules in lipid bilayers

C Neale, R Pomès - Biochimica et Biophysica Acta (BBA)-Biomembranes, 2016 - Elsevier
Free energy simulations are a powerful tool for evaluating the interactions of molecular
solutes with lipid bilayers as mimetics of cellular membranes. However, these simulations …

[HTML][HTML] Alkylphospholipids: An update on molecular mechanisms and clinical relevance

P Rios-Marco, C Marco, X Gálvez… - … et Biophysica Acta (BBA …, 2017 - Elsevier
Alkylphospholipids (APLs) represent a new class of drugs which do not interact directly with
DNA but act on the cell membrane where they accumulate and interfere with lipid …

Shedding light on the puzzle of drug-membrane interactions: Experimental techniques and molecular dynamics simulations

D Lopes, S Jakobtorweihen, C Nunes… - Progress in lipid …, 2017 - Elsevier
Lipid membranes work as barriers, which leads to inevitable drug-membrane interactions in
vivo. These interactions affect the pharmacokinetic properties of drugs, such as their …

Development and characterization of miltefosine-loaded polymeric micelles for cancer treatment

JK Valenzuela-Oses, MC Garcia, VA Feitosa… - Materials Science and …, 2017 - Elsevier
Miltefosine presents antineoplastic activity but high hemolytic potential. Its use in cancer has
been limited to treating cutaneous metastasis of breast cancer. To decrease hemolytic …

[PDF][PDF] Attenuating Staphylococcus aureus virulence by targeting flotillin protein scaffold activity

G Koch, C Wermser, IC Acosta, L Kricks, ST Stengel… - Cell chemical …, 2017 - cell.com
Scaffold proteins are ubiquitous chaperones that bind proteins and facilitate physical
interaction of multi-enzyme complexes. Here we used a biochemical approach to dissect the …

Characterizing the non-linear pharmacokinetics of miltefosine in paediatric visceral leishmaniasis patients from Eastern Africa

S Palić, AE Kip, JH Beijnen, J Mbui… - Journal of …, 2020 - academic.oup.com
Abstract Background Conventional miltefosine dosing (2.5 mg/kg/day) for treatment of
visceral leishmaniasis (VL) is less effective in children than in adults. A higher allometric …

[HTML][HTML] Design, synthesis and evaluation of alkylphosphocholine-gefitinib conjugates as multitarget anticancer agents

MM Alam, AHE Hassan, YH Kwon, HJ Lee… - Archives of pharmacal …, 2018 - Springer
The evolving resistance to the currently used chemotherapeutic agents requires continuous
efforts to develop new anticancer agents overcoming resistance and with lower side effects …

Influence of hexadecylphosphocholine (Miltefosine) in phytantriol-based cubosomes: A structural investigation

B Malheiros, RD de Castro, MC Lotierzo… - Colloids and Surfaces A …, 2022 - Elsevier
Miltefosine (hexadecylphosphocholine, HePC) is a broad spectrum antimicrobial, anti-
leishmanial drug, originally developed as anti-cancer agent. Because of its toxic side effects …

Multimillion Atom Simulations of Di-8-ANEPPS Chromophores Embedded in a Model Plasma Membrane: Toward the Investigation of Realistic Dyed Cell Membranes

C Bouquiaux, B Champagne… - Journal of chemical …, 2023 - ACS Publications
A multistep computational approach has been employed to study a multimillion all-atom
dyed plasma membrane, with no less than 42 different lipid species spanning the major …

Singular interaction between an antimetastatic agent and the lipid bilayer: the ohmline case

FE Herrera, CM Sevrain, PA Jaffrès, H Couthon… - ACS …, 2017 - ACS Publications
SK3 channels are abnormaly expressed in metastatic cells, and Ohmline (OHM), an ether
lipid, has been shown to reduce the activity of SK3 channels and the migration capacity of …