Insights into amprenavir resistance in E35D HIV-1 protease mutation from molecular dynamics and binding free-energy calculations
H Meiselbach, AHC Horn, T Harrer, H Sticht - Journal of Molecular …, 2007 - Springer
Drug resistance is a very important factor contributing to the failure of current HIV therapies.
The ability to understand the resistance mechanism of HIV-protease mutants may be useful …
The ability to understand the resistance mechanism of HIV-protease mutants may be useful …
Molecular dynamics simulations of HIV-1 protease suggest different mechanisms contributing to drug resistance
F Wartha, AHC Horn, H Meiselbach… - Journal of Chemical …, 2005 - ACS Publications
A major problem in the antiretroviral treatment of HIV-infections with protease-inhibitors is
the emergence of resistance, resulting from the occurrence of distinct mutations within the …
the emergence of resistance, resulting from the occurrence of distinct mutations within the …
Molecular dynamics and free energy studies on the wild-type and double mutant HIV-1 protease complexed with amprenavir and two amprenavir-related inhibitors …
T Hou, R Yu - Journal of medicinal chemistry, 2007 - ACS Publications
The V82F/I84V double mutation is considered as the key residue mutation of the HIV-1
protease drug resistance because it can significantly lower the binding affinity of protease …
protease drug resistance because it can significantly lower the binding affinity of protease …
Effects of the V82A and I54V mutations on the dynamics and ligand binding properties of HIV-1 protease
P Dirauf, H Meiselbach, H Sticht - Journal of molecular modeling, 2010 - Springer
A major problem in the antiretroviral treatment of HIV-infections with protease-inhibitors is
the emergence of resistance, resulting from the occurrence of distinct mutations within the …
the emergence of resistance, resulting from the occurrence of distinct mutations within the …
Studies on adaptability of binding residues flap region of TMC-114 resistance HIV-1 protease mutants
R Purohit, V Rajendran… - Journal of Biomolecular …, 2011 - Taylor & Francis
Drug resistant mutations have severely restricted the success of HIV therapy. These
mutations frequently involve the aspartic protease encoded by the virus. Knowledge of the …
mutations frequently involve the aspartic protease encoded by the virus. Knowledge of the …
Drug resistance mechanisms of three mutations V32I, I47V and V82I in HIV-1 protease toward inhibitors probed by molecular dynamics simulations and binding free …
J Chen - RSC advances, 2016 - pubs.rsc.org
Drug resistance of mutations in HIV-1 protease (PR) badly reduce the efficiency of the
current inhibitors in clinical treatments of AIDS. In this work, molecular dynamics (MD) …
current inhibitors in clinical treatments of AIDS. In this work, molecular dynamics (MD) …
Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir
P Kar, V Knecht - Journal of computer-aided molecular design, 2012 - Springer
Amprenavir (APV) is a high affinity (0.15 nM) HIV-1 protease (PR) inhibitor. However, the
affinities of the drug resistant protease variants V32I, I50V, I54V, I54M, I84V and L90M to …
affinities of the drug resistant protease variants V32I, I50V, I54V, I54M, I84V and L90M to …
Molecular dynamics studies on HIV-1 protease: a comparison of the flap motions between wild type protease and the M46I/G51D double mutant
A Lauria, M Ippolito, AM Almerico - Journal of Molecular Modeling, 2007 - Springer
The emergence of drug-resistant mutants of HIV-1 is a tragic effect associated with
conventional long-treatment therapies against acquired immunodeficiency syndrome. These …
conventional long-treatment therapies against acquired immunodeficiency syndrome. These …
Multi-drug resistance profile of PR20 HIV-1 protease is attributed to distorted conformational and drug binding landscape: molecular dynamics insights
The PR20 HIV-1 protease, a variant with 20 mutations, exhibits high levels of multi-drug
resistance; however, to date, there has been no report detailing the impact of these 20 …
resistance; however, to date, there has been no report detailing the impact of these 20 …
Consistent prediction of mutation effect on drug binding in HIV-1 protease using alchemical calculations
T Bastys, V Gapsys, NT Doncheva… - Journal of Chemical …, 2018 - ACS Publications
Despite a large number of antiretroviral drugs targeting HIV-1 protease for inhibition,
mutations in this protein during the course of patient treatment can render them inefficient …
mutations in this protein during the course of patient treatment can render them inefficient …
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