Sonocomplexation as an effective tool to enhance the antitumorigenic effect of metformin: Preparation, in vitro characterization, molecular dynamic simulation & MiaPaCa-2 cell line hypoxia evaluation

Journal of Drug Delivery Science and Technology ◽

10.1016/j.jddst.2020.101968 ◽

2020 ◽

Vol 59 ◽

pp. 101968

Author(s):

Michael M. Farag ◽

Nevine S. Abd El Malak ◽

Soad A. Yehia ◽

Mohammed A. Ahmed

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Cell Line ◽

Dynamic Simulation ◽

In Vitro Characterization ◽

Antitumorigenic Effect

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Molecular dynamic simulation (MDS) and in vitro cathepsin-B inhibitory activity of decrusin angelate, ibuprofen, and thymol

Natural Product Research ◽

10.1080/14786419.2020.1843030 ◽

2020 ◽

pp. 1-6

Author(s):

Chanchal Sharma ◽

Sun Chul Kang

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Inhibitory Activity ◽

Cathepsin B

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Preparation of novel phospholipid-based sonocomplexes for improved intestinal permeability of rosuvastatin: In vitro characterization, dynamic simulation, Caco-2 cell line permeation and in vivo assessment studies

International Journal of Pharmaceutics ◽

10.1016/j.ijpharm.2018.07.005 ◽

2018 ◽

Vol 548 (1) ◽

pp. 375-384 ◽

Cited By ~ 9

Author(s):

Wessam Hamdy Abd-Elsalam ◽

Sara Nageeb El-Helaly ◽

Mohammed Abdallah Ahmed ◽

Abdulaziz Mohsen Al-mahallawi

Keyword(s):

Cell Line ◽

Dynamic Simulation ◽

Intestinal Permeability ◽

In Vitro Characterization ◽

In Vivo Assessment

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New 1,2,3‐triazole–(thio)barbituric acid hybrids as urease inhibitors: Design, synthesis, in vitro urease inhibition, docking study, and molecular dynamic simulation

Archiv der Pharmazie ◽

10.1002/ardp.202000023 ◽

2020 ◽

Vol 353 (9) ◽

pp. 2000023

Author(s):

Mohammad S. Asgari ◽

Homa Azizian ◽

Mohammad Nazari Montazer ◽

Maryam Mohammadi‐Khanaposhtani ◽

Mehdi Asadi ◽

...

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Barbituric Acid ◽

Docking Study ◽

Urease Inhibitors ◽

Urease Inhibition ◽

Design Synthesis

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Improvement in Nutritional Attributes of Rice Starch with Dodecyl Gallate Complexation: A Molecular Dynamic Simulation and in Vitro Study

Journal of Agricultural and Food Chemistry ◽

10.1021/acs.jafc.8b02121 ◽

2018 ◽

Vol 66 (35) ◽

pp. 9282-9290 ◽

Cited By ~ 16

Author(s):

Chengdeng Chi ◽

Xiaoxi Li ◽

Tao Feng ◽

Xiaolan Zeng ◽

Ling Chen ◽

...

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

In Vitro Study ◽

Vitro Study ◽

Rice Starch ◽

Dodecyl Gallate

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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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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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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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