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

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.

scholarly journals Molecular Dynamics Simulations of the First Steps of the Reaction Catalyzed by HIV-1 Protease

2002 ◽  
Vol 83 (2) ◽  
pp. 794-807 ◽  
Author(s):  
Joanna Trylska ◽  
Piotr Bała ◽  
Maciej Geller ◽  
Paweł Grochowski
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Hiv 1
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