Water in nanopores and biological channels: a molecular simulation perspective

CI Lynch, S Rao, MSP Sansom - Chemical reviews, 2020 - ACS Publications
This Review explores the dynamic behavior of water within nanopores and biological
channels in lipid bilayer membranes. We focus on molecular simulation studies, alongside …

pH and its applications in targeted drug delivery

S Abdella, F Abid, SH Youssef, S Kim, F Afinjuomo… - Drug Discovery …, 2023 - Elsevier
Highlights•pH is vital for the normal functioning of the body.•Drug targeting has been widely
used to increase efficacy and reduce adverse effects.•pH variation in different tissues and …

An integrated framework advancing membrane protein modeling and design

RF Alford, J Koehler Leman, BD Weitzner… - PLoS computational …, 2015 - journals.plos.org
Membrane proteins are critical functional molecules in the human body, constituting more
than 30% of open reading frames in the human genome. Unfortunately, a myriad of …

Cryo-EM structure of Helicobacter pylori urease with an inhibitor in the active site at 2.0 Å resolution

ES Cunha, X Chen, M Sanz-Gaitero, DJ Mills… - Nature …, 2021 - nature.com
Infection of the human stomach by Helicobacter pylori remains a worldwide problem and
greatly contributes to peptic ulcer disease and gastric cancer. Without active intervention …

How melittin inserts into cell membrane: conformational changes, inter-peptide cooperation, and disturbance on the membrane

J Hong, X Lu, Z Deng, S Xiao, B Yuan, K Yang - Molecules, 2019 - mdpi.com
Antimicrobial peptides (AMPs), as a key component of the immune defense systems of
organisms, are a promising solution to the serious threat of drug-resistant bacteria to public …

Ureido-modified carboxymethyl chitosan-graft-stearic acid polymeric nano-micelles as a targeted delivering carrier of clarithromycin for Helicobacter pylori …

Y Cong, J Geng, H Wang, J Su, M Arif, Q Dong… - International journal of …, 2019 - Elsevier
The effect of antibiotics in the stomach for curing Helicobacter pylori infection is hampered
by the adverse gastric environment and low bioavailability of the administered drugs …

Biomembranes in atomistic and coarse-grained simulations

K Pluhackova, RA Böckmann - Journal of physics: condensed …, 2015 - iopscience.iop.org
The architecture of biological membranes is tightly coupled to the localization, organization,
and function of membrane proteins. The organelle-specific distribution of lipids allows for the …

Protection Against Helicobacter pylori Infection in BALB/c Mouse Model by Oral Administration of Multivalent Epitope-Based Vaccine of Cholera Toxin B Subunit …

X Pan, H Ke, X Niu, S Li, J Lv, L Pan - Frontiers in immunology, 2018 - frontiersin.org
Vaccination is an increasingly important alternative approach to control Helicobacter pylori
infection, since H. pylori resistance to previously efficacious antibiotic regimens is increased …

Filtering with Electric Field: The Case of E. coli Porins

S Acosta-Gutierrez, MA Scorciapino… - The journal of …, 2015 - ACS Publications
Although the role of general bacterial porins is well established as main pathway for polar
antibiotics, the molecular details of their mode-of-action are still under debate. Using …

The hidden intricacies of aquaporins: remarkable details in a common structural scaffold

N Gössweiner‐Mohr, C Siligan, K Pluhackova… - Small, 2022 - Wiley Online Library
Evolution turned aquaporins (AQPs) into the most efficient facilitators of passive water flow
through cell membranes at no expense of solute discrimination. In spite of a plethora of …