In silico analysis of ciprofloxacin analogs as inhibitors of DNA gyrase of Staphylococcus aureus

In silico analysis of ciprofloxacin analogs as inhibitors of DNA gyrase of Staphylococcus aureus

In this in silico study, thirty-five ciprofloxacin analogs were docked to the active site of DNA gyrase, the prime target of ciprofloxacin type antibiotics. Prior to docking all the structures were optimized using MM2 force field parameters. The study revealed that five candidates, namely 6MePQ_3, 6...

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Bibliographic Details
Main Authors: Md. Rakhibul Hasan, Surid Mohammad Chowdhury, Md. Abdul Aziz, Asif Shahriar, Hossain Ahmed, Md. Arif Khan, Shafi Mahmud, Talha Bin Emran
Format: Article
Language:English
Published: Elsevier 2021-01-01
Series:Informatics in Medicine Unlocked
Subjects:
Antibiotic resistance
Ciprofloxacin
DNA gyrase
Molecular docking
Molecular dynamic simulation
Online Access:http://www.sciencedirect.com/science/article/pii/S2352914821002240

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http://www.sciencedirect.com/science/article/pii/S2352914821002240

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