The use of chlorogenic acid and its analogues as inhibitors: an investigation of the inhibition of sortase A of Staphylococcus aureus using molecular docking and dynamic simulation

2016 ◽  
Vol 38 (8) ◽  
pp. 1341-1347 ◽  
Author(s):  
Chongwei Bi ◽  
Lin Wang ◽  
Xiaodi Niu ◽  
Hongjun Cai ◽  
Xiaobo Zhong ◽  
...  
Keyword(s):  
Staphylococcus Aureus ◽  
Molecular Docking ◽  
Chlorogenic Acid ◽  
Dynamic Simulation ◽  
Sortase A

Molecular Docking and Dynamic Simulation Studies of Terpenoids of I. wightii (Bentham) H. Hara against Acetylcholinesterase and Histone Deacetylase3 Receptors

2018 ◽  
Vol 14 (3) ◽  
pp. 234-245 ◽  
Author(s):  
Madhusudhanan Gogul Ramnath ◽  
Ramaraj Thirugnanasampandan ◽  
Nagarajan NagaSundaram ◽  
Gunasekaran Bhuvaneswari
Keyword(s):  
Molecular Docking ◽  
Dynamic Simulation ◽  
Simulation Studies

scholarly journals Antibacterial and antibiotic modifying activity, ADMET study and molecular docking of synthetic chalcone (E)-1-(2-hydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)prop-2-en-1-one in strains of Staphylococcus aureus carrying NorA and MepA efflux pumps

2021 ◽  
Vol 140 ◽  
pp. 111768
Author(s):  
Janaína Esmeraldo Rocha ◽  
Thiago Sampaio de Freitas ◽  
Jayze da Cunha Xavier ◽  
Raimundo Luiz Silva Pereira ◽  
Francisco Nascimento Pereira Junior ◽  
...  
Keyword(s):  
Staphylococcus Aureus ◽  
Molecular Docking ◽  
Efflux Pumps
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