Modeling and Proposed Molecular Mechanism of Hydroxyurea Through Docking and Molecular Dynamic Simulation to Curtail the Action of Ribonucleotide Reductase

Maryam Iman; Zeynab Khansefid; Asghar Davood

doi:10.2174/1574892811666160926143534

Modeling and Proposed Molecular Mechanism of Hydroxyurea Through Docking and Molecular Dynamic Simulation to Curtail the Action of Ribonucleotide Reductase

Recent Patents on Anti-Cancer Drug Discovery ◽

10.2174/1574892811666160926143534 ◽

2016 ◽

Vol 11 (4) ◽

pp. 461-468 ◽

Cited By ~ 3

Author(s):

Maryam Iman ◽

Zeynab Khansefid ◽

Asghar Davood

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Molecular Mechanism ◽

Dynamic Simulation ◽

Ribonucleotide Reductase

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A molecular mechanism of P-loop pliability of Rho-kinase investigated by molecular dynamic simulation

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-008-9214-7 ◽

2008 ◽

Vol 22 (11) ◽

pp. 789-797 ◽

Cited By ~ 6

Author(s):

Keigo Gohda ◽

Toshio Hakoshima

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Molecular Mechanism ◽

Dynamic Simulation ◽

Rho Kinase

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Study of Molecular Mechanism of the Interaction Between MEK1/2 and Trametinib with Docking and Molecular Dynamic Simulation

Interdisciplinary Sciences Computational Life Sciences ◽

10.1007/s12539-018-0305-4 ◽

2018 ◽

Vol 11 (1) ◽

pp. 115-124 ◽

Cited By ~ 5

Author(s):

Sh. Hashemzadeh ◽

F. Ramezani ◽

H. Rafii-Tabar

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Molecular Mechanism ◽

Dynamic Simulation

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Biological evaluation, proposed molecular mechanism through docking and molecular dynamic simulation of derivatives of chitosan

International Journal of Biological Macromolecules ◽

10.1016/j.ijbiomac.2020.10.252 ◽

2021 ◽

Vol 166 ◽

pp. 948-966

Author(s):

Rahime Eshaghi Malekshah ◽

Farideh Shakeri ◽

Mohammadreza Aallaei ◽

Maral Hemati ◽

Ali Khaleghian

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Molecular Mechanism ◽

Dynamic Simulation ◽

Biological Evaluation ◽

Derivatives Of

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Synthesis and toxicity assessment of Fe3O4 NPs grafted by ∼ NH2-Schiff base as anticancer drug: modeling and proposed molecular mechanism through docking and molecular dynamic simulation

Drug Delivery ◽

10.1080/10717544.2020.1801890 ◽

2020 ◽

Vol 27 (1) ◽

pp. 1201-1217

Author(s):

Rahime Eshaghi Malekshah ◽

Bahareh Fahimirad ◽

Mohammadreza Aallaei ◽

Ali Khaleghian

Keyword(s):

Schiff Base ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Molecular Mechanism ◽

Dynamic Simulation ◽

Anticancer Drug ◽

Toxicity Assessment ◽

Fe3o4 Nps ◽

Drug Modeling

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Molecular Dynamic Simulation and Spectroscopic Investigation of Some Cytotoxic Palladium(II) Complexes Interaction with Human Serum Albumin

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207317666140926124647 ◽

2014 ◽

Vol 17 (9) ◽

pp. 781-789 ◽

Cited By ~ 4

Author(s):

Mahboube Eslami Moghadam ◽

Maryam Saidifar ◽

Faramarz Rostami-Charati ◽

Davoud Ajloo ◽

Maryam Ghadamgahi

Keyword(s):

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Spectroscopic Investigation

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Molecular interaction in binary mixtures of 3-Bromoanisole and methanol: A microwave dielectric relaxation spectroscopy and molecular dynamic simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.115186 ◽

2021 ◽

Vol 325 ◽

pp. 115186

Author(s):

H.P. Vankar ◽

V.A. Rana ◽

S. Dey ◽

H.D. Patel ◽

V.K. Jain

Keyword(s):

Dielectric Relaxation ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Binary Mixtures ◽

Dynamic Simulation ◽

Simulation Study ◽

Molecular Interaction ◽

Dielectric Relaxation Spectroscopy ◽

Microwave Dielectric ◽

Molecular Dynamic Simulation Study

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A potential anticancer dihydropyrimidine derivative and its protein binding mechanism by multispectroscopic, molecular docking and molecular dynamic simulation along with its in-silico toxicity and metabolic profile

European Journal of Pharmaceutical Sciences ◽

10.1016/j.ejps.2020.105686 ◽

2021 ◽

Vol 158 ◽

pp. 105686

Author(s):

Tanveer A. Wani ◽

Nawaf Alsaif ◽

Mohammed M. Alanazi ◽

Ahmed H. Bakheit ◽

Seema Zargar ◽

...

Keyword(s):

Molecular Docking ◽

Protein Binding ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

In Silico ◽

Metabolic Profile ◽

Binding Mechanism ◽

In Silico Toxicity

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Solid-liquid phase equilibrium of nimesulide (Form I) in twelve mono-solvents: Solubility determination, molecular dynamic simulation, solvent effect, model correlation and thermodynamic analysis

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.115480 ◽

2021 ◽

Vol 330 ◽

pp. 115480

Author(s):

Jiao Sha ◽

Di Fan ◽

Jingyi Zhang ◽

Zidan Cao ◽

Yameng Wan ◽

...

Keyword(s):

Phase Equilibrium ◽

Liquid Phase ◽

Solvent Effect ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Effect Model ◽

Solubility Determination ◽

Solid Liquid ◽

Model Correlation

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New insights into octadecylamine-monoacid selective adsorption on KCl/NaCl surface: Experimental and molecular dynamic simulation

Applied Surface Science ◽

10.1016/j.apsusc.2021.149613 ◽

2021 ◽

Vol 554 ◽

pp. 149613

Author(s):

Linjian Wang ◽

Yanxia Xu ◽

Hang Chen ◽

Xingfu Song

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Selective Adsorption

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Solid-liquid equilibrium behavior and thermodynamic analysis of p-aminobenzoic acid using experimental measurement and molecular dynamic simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.114964 ◽

2021 ◽

Vol 323 ◽

pp. 114964

Author(s):

Zongqiu Li ◽

Shengzhe Jia ◽

Ye Gao ◽

Mengwei Wang ◽

Wei Hong ◽

...

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Thermodynamic Analysis ◽

Experimental Measurement ◽

Aminobenzoic Acid ◽

Liquid Equilibrium ◽

Equilibrium Behavior ◽

Solid Liquid

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