Toward of Safer Phenylbutazone Derivatives by Exploration of Toxicity Mechanism

Toward of Safer Phenylbutazone Derivatives by Exploration of Toxicity Mechanism

A drug design for safer phenylbutazone was been explored by reactivity and docking studies involving single electron transfer mechanism, as well as toxicological predictions. Several approaches about its structural properties were performed through quantum chemistry calculations at the B3LYP level o...

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Bibliographic Details
Main Authors: Rosivaldo S. Borges, Ivanete C. Palheta, Sirlene S. B. Ota, Roberto B. Morais, Valéria A. Barros, Ryan S. Ramos, Rai C. Silva, Josivan da S. Costa, Carlos H. T. P. Silva, Joaquín M. Campos, Cleydson B. R. Santos
Format: Article
Language:English
Published: MDPI AG 2019-01-01
Series:Molecules
Subjects:
phenylbutazone
DFT
electron transfer
metabolism
toxicity
Online Access:http://www.mdpi.com/1420-3049/24/1/143

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