Computational methods and tools in antimicrobial peptide research

PGA Aronica, LM Reid, N Desai, J Li… - Journal of Chemical …, 2021 - ACS Publications
The evolution of antibiotic-resistant bacteria is an ongoing and troubling development that
has increased the number of diseases and infections that risk going untreated. There is an …

[HTML][HTML] 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 …

[HTML][HTML] A molecular architectural design that promises potent antimicrobial activity against multidrug-resistant pathogens

B Yuan, J Liu, Z Deng, L Wei, W Li, Y Dou, Z Chen… - NPG Asia …, 2021 - nature.com
Addressing the devastating threat of drug-resistant pathogens requires the discovery of new
antibiotics with advanced action mechanisms and/or novel strategies for drug design …

Membrane perturbation of fullerene and graphene oxide distinguished by pore-forming peptide melittin

C Zhang, Y Ge, X Lu, Z Chen, J Liu, M Zhang, K Yang… - Carbon, 2021 - Elsevier
Carbon nanomaterials such as fullerenes (C 60) and graphene oxide (GO) are considered
as promising candidates for diverse applications in biotechnology and biomedicine …

Lipid phase influences the dynamic interactions between graphene oxide nanosheets and a phospholipid membrane

Z Chen, X Lu, J Liu, X Tian, W Li, K Yang… - The Journal of Physical …, 2021 - ACS Publications
To understand the possible perturbations of graphene oxide (GO) nanosheets on cell
membranes is the first step to evaluate their cytotoxicity, while the membrane heterogeneity …

[HTML][HTML] Cholesterols work as a molecular regulator of the antimicrobial peptide-membrane interactions

J Li, X Lu, W Ma, Z Chen, S Sun, Q Wang… - Frontiers in Molecular …, 2021 - frontiersin.org
The existing cholesterols (Chols) in animal cell membranes play key roles in many
fundamental cellular processes, which also promise the possibility to modulate the …

[HTML][HTML] Computational design of a minimal “protein-like” conjugate for potent membrane poration

Z Deng, X You, B Yuan, K Yang - Giant, 2021 - Elsevier
Biomimetic membrane nanopores have great potentials for bio-and nanotechnology
applications. Here, a design strategy of an artificial protein by reasonably conjugating …