Structure and dynamics of solvent molecules inside the polytheonamide B channel in different environments: a molecular dynamics study-Reference-Cited by-同舟云学术

Structure and dynamics of solvent molecules inside the polytheonamide B channel in different environments: a molecular dynamics study

Published:2018 Issue:5 Volume:20 Page:3334-3348
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Kalathingal Mahroof¹²³⁴⁵,Sumikama Takashi⁶⁷⁸⁹¹⁰^ORCID,Mori Toshifumi¹²³⁴⁵^ORCID,Oiki Shigetoshi⁶⁷⁸⁹¹⁰^ORCID,Saito Shinji¹²³⁴⁵^ORCID

Affiliation:

1. Institute for Molecular Science

2. Myodaiji

3. Okazaki

4. Aichi 444-8585

5. Japan & School of Physical Sciences

6. Department of Molecular Physiology and Biophysics

7. Faculty of Medical Sciences

8. University of Fukui

9. Fukui 910-1193

10. Japan

Abstract

The β^6.3-helical channel of the marine cytotoxic peptide, polytheonamide B (pTB), is examined in water, the POPC bilayer, and a 1 : 1 chloroform/methanol mixture using all-atom molecular dynamics simulations.

Funder

Japan Society for the Promotion of Science

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP06299K

Reference42 articles.

1. Polytheonamides, unprecedented highly cytotoxic polypeptides, from the marine sponge theonella swinhoei

2. A channel-forming peptide toxin: Polytheonamide from marine sponge (Theonella swinhoei)

3. Polytheonamides A and B, Highly Cytotoxic, Linear Polypeptides with Unprecedented Structural Features, from the Marine Sponge, Theonella swinhoei

4. Solution Structure of Polytheonamide B, a Highly Cytotoxic Nonribosomal Polypeptide from Marine Sponge

5. A cytotoxic peptide from a marine sponge exhibits ion channel activity through vectorial-insertion into the membrane

Cited by 7 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. An Ensemble Docking Approach for Analyzing and Designing Aptamer Heterodimers Targeting VEGF165;International Journal of Molecular Sciences;2024-04-05

2. Mechanism of Action of Ribosomally Synthesized and Post-Translationally Modified Peptides;Chemical Reviews;2022-09-01

3. Vectorial insertion of a β-helical peptide into membrane: a theoretical study on polytheonamide B;Biophysical Journal;2021-11

4. Deciphering the Structure of the Gramicidin A Channel in the Presence of AOT Reverse Micelles in Pentane Using Molecular Dynamics Simulations;The Journal of Physical Chemistry B;2020-12-21

5. Marine natural products;Natural Product Reports;2020