The Interaction of a New Schiff Base Ligand with Human Serum Albumin: Molecular Docking and Molecular Dynamics Simulation Studies

Journal of Macromolecular Science Part B ◽

10.1080/00222348.2017.1356634 ◽

2017 ◽

Vol 56 (9) ◽

pp. 636-643 ◽

Author(s):

Iman Khosravi ◽

Mehdi Sahihi ◽

Hadi Amiri Rudbari ◽

Ghazal Borhan ◽

Zahra Chavoshpour-Natanzi

Keyword(s):

Molecular Dynamics ◽

Schiff Base ◽

Molecular Docking ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Schiff Base Ligand ◽

Dynamics Simulation ◽

Simulation Studies

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Spectroscopic, docking and molecular dynamics simulation studies on the interaction of two Schiff base complexes with human serum albumin

Journal of Luminescence ◽

10.1016/j.jlumin.2013.03.001 ◽

2013 ◽

Vol 141 ◽

pp. 166-172 ◽

Author(s):

N. Fani ◽

A.K. Bordbar ◽

Y. Ghayeb

Keyword(s):

Molecular Dynamics ◽

Schiff Base ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Schiff Base Complexes ◽

Dynamics Simulation ◽

Simulation Studies

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Study on the interaction of ertugliflozin with human serum albumin in vitro by multispectroscopic methods, molecular docking, and molecular dynamics simulation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2019.04.047 ◽

2019 ◽

Vol 219 ◽

pp. 83-90 ◽

Author(s):

Wenjing Wang ◽

Na Gan ◽

Qiaomei Sun ◽

Di Wu ◽

Ruixue Gan ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Dynamics Simulation

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Potential charge transfer probe induced conformational changes of model plasma protein human serum albumin: Spectroscopic, molecular docking, and molecular dynamics simulation study

Biopolymers ◽

10.1002/bip.22057 ◽

2012 ◽

Vol 97 (10) ◽

pp. 766-777 ◽

Author(s):

Sankar Jana ◽

Sasanka Dalapati ◽

Shalini Ghosh ◽

Nikhil Guchhait

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Charge Transfer ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Conformational Changes ◽

Simulation Study ◽

Dynamics Simulation

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Study of microheterogeneous environment of protein Human Serum Albumin by an extrinsic fluorescent reporter: A spectroscopic study in combination with Molecular Docking and Molecular Dynamics Simulation

Journal of Photochemistry and Photobiology B Biology ◽

10.1016/j.jphotobiol.2012.04.007 ◽

2012 ◽

Vol 112 ◽

pp. 48-58 ◽

Author(s):

Sankar Jana ◽

Sasanka Dalapati ◽

Shalini Ghosh ◽

Nikhil Guchhait

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Spectroscopic Study ◽

Human Serum ◽

Dynamics Simulation ◽

Fluorescent Reporter

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Molecular dynamics simulation studies of betulinic acid with human serum albumin

Journal of Molecular Modeling ◽

10.1007/s00894-011-1287-x ◽

2011 ◽

Vol 18 (6) ◽

pp. 2589-2597 ◽

Author(s):

Chandramouli Malleda ◽

Navjeet Ahalawat ◽

Mahesh Gokara ◽

Rajagopal Subramanyam

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Betulinic Acid ◽

Dynamics Simulation ◽

Simulation Studies

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A combined spectroscopic, docking and molecular dynamics simulation approach to probing binding of a Schiff base complex to human serum albumin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.11.003 ◽

2013 ◽

Vol 103 ◽

pp. 11-17 ◽

Author(s):

N. Fani ◽

A.K. Bordbar ◽

Y. Ghayeb

Keyword(s):

Molecular Dynamics ◽

Schiff Base ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Schiff Base Complex ◽

Dynamics Simulation ◽

Simulation Approach ◽

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Study of the interaction of broad-spectrum antimicrobial drug sitafloxacin with human serum albumin using spectroscopic methods, molecular docking, and molecular dynamics simulation

Journal of Pharmaceutical and Biomedical Analysis ◽

10.1016/j.jpba.2018.07.053 ◽

2018 ◽

Vol 160 ◽

pp. 397-403 ◽

Author(s):

Xiaohui Ding ◽

Zili Suo ◽

Qiaomei Sun ◽

Ruixue Gan ◽

Peixiao Tang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Broad Spectrum ◽

Antimicrobial Drug ◽

Dynamics Simulation ◽

Spectroscopic Methods

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Prediction of the Interaction between Magnolia Extract, Herbal Medicines, with Human Serum Albumin Using Molecular Dynamics Simulation

Current Bioinformatics ◽

10.2174/1574893612666170405120551 ◽

2018 ◽

Vol 13 (2) ◽

pp. 207-215

Author(s):

Tayebeh Sharifi ◽

Yousef Ghayeb

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Herbal Medicines ◽

Dynamics Simulation

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Investigation on the Interaction of Dabrafenib with Human Serum Albumin Using Combined Experiment and Molecular Dynamics Simulation: Exploring the Binding Mechanism, Esterase-like Activity, and Antioxidant Activity

Molecular Pharmaceutics ◽

10.1021/acs.molpharmaceut.8b00806 ◽

2018 ◽

Vol 15 (12) ◽

pp. 5637-5645 ◽

Author(s):

Zili Suo ◽

Xinnuo Xiong ◽

Qiaomei Sun ◽

Ludan Zhao ◽

Peixiao Tang ◽

...

Keyword(s):

Molecular Dynamics ◽

Antioxidant Activity ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Dynamics Simulation ◽

Binding Mechanism

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Exploration of the binding properties of the human serum albumin sites with neurology drugs by docking and molecular dynamics simulation

Journal of the Iranian Chemical Society ◽

10.1007/s13738-016-0954-3 ◽

2016 ◽

Vol 14 (1) ◽

pp. 19-35 ◽

Author(s):

Fatemeh S. Alavi ◽

Rahim Ghadari ◽

Mansour Zahedi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Dynamics Simulation ◽

Binding Properties

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