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

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Dynamics Simulation ◽

Binding Properties

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 ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Herbal Medicines ◽

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 ◽

Cited By ~ 14

Author(s):

Wenjing Wang ◽

Na Gan ◽

Qiaomei Sun ◽

Di Wu ◽

Ruixue Gan ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

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 ◽

Cited By ~ 2

Author(s):

Zili Suo ◽

Xinnuo Xiong ◽

Qiaomei Sun ◽

Ludan Zhao ◽

Peixiao Tang ◽

...

Keyword(s):

Molecular Dynamics ◽

Antioxidant Activity ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Dynamics Simulation ◽

Binding Mechanism

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 ◽

Cited By ~ 16

Author(s):

Sankar Jana ◽

Sasanka Dalapati ◽

Shalini Ghosh ◽

Nikhil Guchhait

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Charge Transfer ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Conformational Changes ◽

Simulation Study ◽

Molecular Dynamics Simulation and Binding Studies of β-Sitosterol with Human Serum Albumin and Its Biological Relevance

The Journal of Physical Chemistry B ◽

10.1021/jp102730p ◽

2010 ◽

Vol 114 (27) ◽

pp. 9054-9062 ◽

Cited By ~ 106

Author(s):

Babu Sudhamalla ◽

Mahesh Gokara ◽

Navjeet Ahalawat ◽

Damu G. Amooru ◽

Rajagopal Subramanyam

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Dynamics Simulation ◽

Binding Studies ◽

Biological Relevance

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 ◽

Cited By ~ 31

Author(s):

Sankar Jana ◽

Sasanka Dalapati ◽

Shalini Ghosh ◽

Nikhil Guchhait

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Human Serum Albumin ◽

Serum Albumin ◽

Spectroscopic Study ◽

Human Serum ◽

Dynamics Simulation ◽

Fluorescent Reporter

Investigation into the interaction of losartan with human serum albumin and glycated human serum albumin by spectroscopic and molecular dynamics simulation techniques: A comparison study

Chemico-Biological Interactions ◽

10.1016/j.cbi.2016.07.025 ◽

2016 ◽

Vol 257 ◽

pp. 4-13 ◽

Cited By ~ 7

Author(s):

Farid Moeinpour ◽

Fatemeh S. Mohseni-Shahri ◽

Bizhan Malaekeh-Nikouei ◽

Hooriyeh Nassirli

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Dynamics Simulation ◽

Comparison Study ◽

Simulation Techniques

Fatty acid binding into the highest affinity site of human serum albumin observed in molecular dynamics simulation

Archives of Biochemistry and Biophysics ◽

10.1016/j.abb.2015.05.018 ◽

2015 ◽

Vol 579 ◽

pp. 18-25 ◽

Cited By ~ 21

Author(s):

Bruno Rizzuti ◽

Rosa Bartucci ◽

Luigi Sportelli ◽

Rita Guzzi

Keyword(s):

Molecular Dynamics ◽

Fatty Acid ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Dynamics Simulation ◽

Fatty Acid Binding

Stabilization of a potential anticancer thiosemicarbazone derivative in Sudlow site I of human serum albumin: In vitro spectroscopy coupled with molecular dynamics simulation

Biophysical Chemistry ◽

10.1016/j.bpc.2020.106509 ◽

2021 ◽

Vol 269 ◽

pp. 106509

Author(s):

Kapil Ganorkar ◽

Soham Mukherjee ◽

Piyush Singh ◽

Sujit Kumar Ghosh

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Probing of possible olanzapine binding site on human serum albumin: Combination of spectroscopic methods and molecular dynamics simulation

Journal of Luminescence ◽

10.1016/j.jlumin.2014.09.027 ◽

2015 ◽

Vol 158 ◽

pp. 91-98 ◽

Cited By ~ 40

Author(s):

Mohsen Shahlaei ◽

Behnoosh Rahimi ◽

Mohammad Reza Ashrafi-Kooshk ◽

Komail Sadrjavadi ◽

Reza Khodarahmi

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Binding Site ◽

Dynamics Simulation ◽

Spectroscopic Methods