Improving therapeutic potential of antibacterial spider venom peptides: coarse-grain molecular dynamics guided approach

2018 ◽  
Vol 10 (19) ◽  
pp. 2309-2322 ◽  
Author(s):  
Peter V Dubovskii ◽  
Anastasia A Ignatova ◽  
Pavel E Volynsky ◽  
Igor A Ivanov ◽  
Maxim N Zhmak ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Therapeutic Potential ◽  
Spider Venom ◽  
Coarse Grain ◽  
Venom Peptides

Latarcins: versatile spider venom peptides

2015 ◽  
Vol 72 (23) ◽  
pp. 4501-4522 ◽  
Author(s):  
Peter V. Dubovskii ◽  
Alexander A. Vassilevski ◽  
Sergey A. Kozlov ◽  
Alexey V. Feofanov ◽  
Eugene V. Grishin ◽  
...  
Keyword(s):  
Spider Venom ◽  
Venom Peptides

Methods for Deployment of Spider Venom Peptides as Bioinsecticides

2014 ◽  
pp. 389-411 ◽  
Author(s):  
Volker Herzig ◽  
Niraj S. Bende ◽  
Md. Shohidul Alam ◽  
H. William Tedford ◽  
Robert M. Kennedy ◽  
...  
Keyword(s):  
Spider Venom ◽  
Venom Peptides

scholarly journals Towards Dynamic Pharmacophore Models by Coarse Grain Molecular Dynamics

2017 ◽  
Vol 112 (3) ◽  
pp. 448a
Author(s):  
Nicholas Michelarakis ◽  
Zara A. Sands ◽  
Mark S.P. Sansom ◽  
Phillip J. Stansfeld
Keyword(s):  
Molecular Dynamics ◽  
Coarse Grain ◽  
Pharmacophore Models

scholarly journals Study of the Lamellar and Micellar Phases of Pluronic F127: A Molecular Dynamics Approach

Processes ◽  
2019 ◽  
Vol 7 (9) ◽  
pp. 606 ◽  
Author(s):  
Juan Albano ◽  
Damian Grillo ◽  
Julio Facelli ◽  
Marta Ferraro ◽  
Mónica Pickholz
Keyword(s):  
Molecular Dynamics ◽  
Amorphous Structure ◽  
Pluronic F127 ◽  
Coarse Grain ◽  
Lamellar Thickness ◽  
Initial Polymer ◽  
Lamellar Phases ◽  
New Information ◽  
Order Of Magnitude ◽  
Dynamics Simulations

In this work, we analyzed the behavior of Pluronic F127 through molecular dynamics simulations at the coarse-grain level, focusing on the micellar and lamellar phases. To this aim, two initial polymer conformations were considered, S-shape and U-shape, for both simulated phases. Through the simulations, we were able to examine the structural and mechanical properties that are difficult to access through experiments. Since no transition between S and U shapes was observed in our simulations, we inferred that all single co-polymers had memory of their initial configuration. Nevertheless, most copolymers had a more complex amorphous structure, where hydrophilic beads were part of the lamellar-like core. Finally, an overall comparison of the micellar a lamellar phases showed that the lamellar thickness was in the same order of magnitude as the micelle diameter (approx. 30 nm). Therefore, high micelle concentration could lead to lamellar formation. With this new information, we could understand lamellae as orderly packed micelles.

scholarly journals Pore-forming spider venom peptides show cytotoxicity to hyperpolarized cancer cells expressing K+ channels: A lentiviral vector approach

PLoS ONE ◽  
2019 ◽  
Vol 14 (4) ◽  
pp. e0215391 ◽  
Author(s):  
Masayoshi Okada ◽  
Ernesto Ortiz ◽  
Gerardo Corzo ◽  
Lourival D. Possani
Keyword(s):  
Cancer Cells ◽  
Lentiviral Vector ◽  
Spider Venom ◽  
K Channels ◽  
Venom Peptides ◽  
Vector Approach
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