scholarly journals Comparative molecular dynamics simulations of HIV-1 integrase and the T66I/M154I mutant: Binding modes and drug resistance to a diketo acid inhibitor

2005 ◽  
Vol 59 (4) ◽  
pp. 723-741 ◽  
Author(s):  
Alessandro Brigo ◽  
Keun Woo Lee ◽  
Federico Fogolari ◽  
Gabriela Iurcu Mustata ◽  
James M. Briggs
Keyword(s):  
Molecular Dynamics ◽  
Drug Resistance ◽  
Molecular Dynamics Simulations ◽  
Binding Modes ◽  
Acid Inhibitor ◽  
Dynamics Simulations ◽  
Hiv 1

Molecular dynamics simulations exploring drug resistance in HIV-1 proteases

2010 ◽  
Vol 55 (24) ◽  
pp. 2677-2683 ◽  
Author(s):  
Hui Gu ◽  
HaiFeng Chen ◽  
DongQing Wei ◽  
JingFang Wang
Keyword(s):  
Molecular Dynamics ◽  
Drug Resistance ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Hiv 1

Revealing the binding and drug resistance mechanism of amprenavir, indinavir, ritonavir, and nelfinavir complexed with HIV-1 protease due to double mutations G48T/L89M by molecular dynamics simulations and free energy analyses

2020 ◽  
Vol 22 (8) ◽  
pp. 4464-4480
Author(s):  
Rui-Ge Wang ◽  
Hong-Xing Zhang ◽  
Qing-Chuan Zheng
Keyword(s):  
Molecular Dynamics ◽  
Drug Resistance ◽  
Free Energy ◽  
Molecular Dynamics Simulations ◽  
Resistance Mechanism ◽  
Md Simulations ◽  
Resistance Mechanisms ◽  
Dynamics Simulations ◽  
Hiv 1

MD simulations, MM-PBSA, and SIE analyses were used to investigate the drug resistance mechanisms of two mutations G48T and L89M in HIV-1 protease toward four inhibitors.

Molecular insight on the binding of NNRTI to K103N mutated HIV-1 RT: molecular dynamics simulations and dynamic pharmacophore analysis

2016 ◽  
Vol 12 (11) ◽  
pp. 3385-3395 ◽  
Author(s):  
Bilal Nizami ◽  
Dominique Sydow ◽  
Gerhard Wolber ◽  
Bahareh Honarparvar
Keyword(s):  
Molecular Dynamics ◽  
Drug Resistance ◽  
Hiv Infection ◽  
Molecular Dynamics Simulations ◽  
Rapid Onset ◽  
Hiv Therapy ◽  
Dynamics Simulations ◽  
Anti Hiv ◽  
Hiv 1

Regardless of advances in anti-HIV therapy, HIV infection remains an immense challenge due to the rapid onset of mutation instigating drug resistance.

Mechanism of Drug Resistance Due to N88S in CRF01_AE HIV-1 Protease, Analyzed by Molecular Dynamics Simulations

2007 ◽  
Vol 50 (8) ◽  
pp. 1768-1777 ◽  
Author(s):  
Hirotaka Ode ◽  
Shou Matsuyama ◽  
Masayuki Hata ◽  
Tyuji Hoshino ◽  
Junko Kakizawa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Drug Resistance ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Hiv 1
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