Mechanistic understanding from molecular dynamics in pharmaceutical research 2: lipid membrane in drug design

T Róg, M Girych, A Bunker - Pharmaceuticals, 2021 - mdpi.com
We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …

Combined Second Harmonic Generation and Fluorescence Analyses of the Structures and Dynamics of Molecules on Lipids Using Dual-Probes: A Review

Y Hou, J Li, B Li, Q Yuan, W Gan - Molecules, 2022 - mdpi.com
Revealing the structures and dynamic behaviors of molecules on lipids is crucial for
understanding the mechanism behind the biophysical processes, such as the preparation …

Wüstite as a catalyst source for water remediation: Differentiated antimicrobial activity of by-products, action routes of the process, and transformation of …

SD Jojoa-Sierra, J Herrero-Albillos, MP Ormad… - Chemical Engineering …, 2022 - Elsevier
Wüstite under simulated solar irradiation with addition of H 2 O 2 was used to treat
enrofloxacin and levofloxacin in water. Wüstite was characterized, showing 2.1 eV of …

Coexistence of DOPG model membranes and -aescin micelles: a combined scattering and NMR study

F Gräbitz-Bräuer, C Dargel, R Geisler… - Colloid and Polymer …, 2023 - Springer
The saponin β-aescin is well known for its self-aggregation above the critical micelle
concentration (cmc) and its interaction with model membranes made of zwitterionic …

Spectroscopic characterization of different protonation/deprotonation states of Barbaloin in aqueous solution

FL Matos, EL Duarte, GSV Muniz… - … Acta Part A: Molecular …, 2023 - Elsevier
Abstract Barbaloin (10–glucopyranosyl–1, 8–dihydroxy–3–(hydroxymethyl)–9 (10H)–
anthraquinone: aloin A), present in Aloe species, is widely used in food, cosmetic and …

Interactions Between Silver Nanoparticles and Culture Medium Biomolecules with Dose and Time Dependencies

CV Vivas, EL Duarte, YB Barreto, CLP deOliveira… - Journal of …, 2024 - Springer
The interaction between silver nanoparticles (AgNPs) and molecules producing coronas
plays a key role in cytotoxicity mechanisms. Once adsorbed coronas determine the destiny …

What different physical techniques can disclose about disruptions on membrane structure caused by the antimicrobial peptide Hylin a1 and a more positively charged …

GSV Muniz, EL Duarte, EN Lorenzón, EM Cilli… - Chemistry and Physics …, 2022 - Elsevier
The present work monitors structural changes in anionic membranes (DPPG; 1, 2-
dipalmitoyl-sn-glycero-3-phospho-(1′-rac-glycerol)) caused by the native antimicrobial …