Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation

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• 作者：E.V. Shchegol'kov^a ; ^{schegolkov@ios.uran.ru} ; I.V. Shchur^a ; Ya.V. Burgart^a ; V.I. Saloutin^a ; A.N. Trefilova^b ; G.A. Ljushina^b ; S.Yu. Solodnikov^b ; L.N. Markova^b ; V.V. Maslova^b ; O.P. Krasnykh^b ; S.S. Borisevich^c ; S.L. Khursan^c
• 关键词：Polyfluoronated salicylates ; Nucleophilic substitution ; ortho-Methoxylation ; Molecular docking ; Anti-inflammatory and analgesic activities ; COX-1 inhibition ; Toxicity ; Permeability
• 刊名：Bioorganic & Medicinal Chemistry
• 出版年：2017
• 出版时间：1 January 2017
• 年：2017
• 卷：25
• 期：1
• 页码：91-99
• 全文大小：1079 K
• 卷排序：25

文摘

We have developed the convenient methods for synthesis of polyfluorosalicylic acids and their derivatives. For the first time the biological properties of polyfluorosalicylates were investigated in vitro (permeability through the biological membranes, COX-1 inhibitory action) and in vivo (anti-inflammatory, analgesic activities, acute toxicity). Molecular docking of polyfluorinated salicylates confirmed in vitro and in vivo experiments.