scholarly journals Molecular simulations of conformation change and aggregation of HIV-1 Vpr13-33 on graphene oxide

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Songwei Zeng ◽  
Guoquan Zhou ◽  
Jianzhong Guo ◽  
Feng Zhou ◽  
Junlang Chen
Keyword(s):  
Graphene Oxide ◽  
Molecular Simulations ◽  
Conformation Change ◽  
Hiv 1

The effect of graphene oxide on conformation change, aggregation and cytotoxicity of HIV-1 regulatory protein (Vpr)

Biomaterials ◽  
2013 ◽  
Vol 34 (4) ◽  
pp. 1383-1390 ◽  
Author(s):  
Min Zhang ◽  
Xiaobo Mao ◽  
Chenxuan Wang ◽  
Wenfeng Zeng ◽  
Chunling Zhang ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Regulatory Protein ◽  
Conformation Change ◽  
Hiv 1

scholarly journals In Silico Vaccine Design Based on Molecular Simulations of Rhinovirus Chimeras Presenting HIV-1 gp41 Epitopes

2009 ◽  
Vol 385 (2) ◽  
pp. 675-691 ◽  
Author(s):  
Mauro Lapelosa ◽  
Emilio Gallicchio ◽  
Gail Ferstandig Arnold ◽  
Eddy Arnold ◽  
Ronald M. Levy
Keyword(s):  
In Silico ◽  
Molecular Simulations ◽  
Vaccine Design ◽  
Hiv 1

scholarly journals Molecular simulation of curcumin loading on graphene and graphene oxide for drug delivery applications

2021 ◽  
pp. 161-168
Author(s):  
Venkatesha Narayanaswamy ◽  
Sulaiman Alaabed ◽  
Bashar Issa ◽  
M-Ali AL-Akhras ◽  
Ihab M. Obaidat
Keyword(s):  
Graphene Oxide ◽  
Aqueous Medium ◽  
Mean Square Displacement ◽  
Molecular Simulations ◽  
Separation Distance ◽  
Distribution Functions ◽  
Synthetic Methods ◽  
Simulation Methods ◽  
Drug Molecule ◽  
Graphene Oxides

Curcumin loading capacity of polyethylene glycol (PEG) functionalized graphene and graphene oxides are investigated using molecular dynamics and Monte Carlo (MC) adsorption locator simulations. These simulation methods were performed as a function of oxidation extent to study the effect of functional groups on curcumin loading and release properties. Adsorption locator energy calculations suggest that the curcumin drug molecule prefers to adsorb at the less oxidized sites of graphene oxide. One of the phenolic rings of curcumin drug prefers to have a planar interaction with graphene and graphene oxide framework due to the pi-pi interaction. Molecular dynamic studies are conducted in aqueous medium under neutral pH. Mean square displacement and radial distribution functions are obtained to determine the nature of the curcumin attachment and release in aqueous medium. The molecular simulations show that separation distance of the curcumin molecule from GO sheet is 4.4 Å. The molecular simulations presented in this work will help to design new synthetic methods of nanocarriers for curcumin delivery applications.

Graphene oxide decorated with Cu(i)Br nanoparticles: a reusable catalyst for the synthesis of potent bis(indolyl)methane based anti HIV drugs

RSC Advances ◽  
2016 ◽  
Vol 6 (27) ◽  
pp. 23008-23011 ◽  
Author(s):  
Ananya Srivastava ◽  
Aakanksha Agarwal ◽  
Satish K. Gupta ◽  
Nidhi Jain
Keyword(s):  
Graphene Oxide ◽  
Reusable Catalyst ◽  
Efficient Synthesis ◽  
Hiv Drugs ◽  
Anti Hiv ◽  
Hiv 1

A reusable nanocatalytic system comprising Cu(i)Br decorated on graphene oxide has been prepared, and successfully applied for an efficient synthesis of bis(indolyl)methanes. The synthesized compound 3d shows significant anti-HIV-1 activity.

scholarly journals High-Throughput Molecular Simulations Reveal the Origin of Ion Free Energy Barriers in Graphene Oxide Membranes

Nanoscale ◽  
2021 ◽  
Author(s):  
Christopher David Williams ◽  
Flor Rebeca Siperstein ◽  
Paola Carbone
Keyword(s):  
Free Energy ◽  
Graphene Oxide ◽  
High Throughput ◽  
Molecular Simulations ◽  
Energy Barriers ◽  
Salt Rejection ◽  
Oxide Membranes ◽  
Graphene Oxide Membranes

Graphene oxide (GO) membranes are highly touted as materials for contemporary separation challenges including desalination, yet understanding of the interplay between their structure and salt rejection is limited. K+ ion...

A Fluorescence Assay for HIV-1 Ribonuclease H Activity and Inhibition Detection Using Graphene Oxide as Sensing Platform

2014 ◽  
Vol 6 (9) ◽  
pp. 1936-1942 ◽  
Author(s):  
Xiang Li ◽  
Xuelian Ding ◽  
Gongke Wang ◽  
Yixuan Zhou ◽  
Ruipeng Hou ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Fluorescence Assay ◽  
Ribonuclease H ◽  
Sensing Platform ◽  
Hiv 1
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