title: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation.
abstract: 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.
authors: Postovsky Institute of Organic Synthesis of Ural Branch of Russian Academy of Science, S. Kovalevskoy Str., 22, Ekaterinburg 620990 Russia. Electronic address: schegolkov@ios.uran.ru.
authors: E V
authors: EV
authors: Shchegol'kov
authors: Postovsky Institute of Organic Synthesis of Ural Branch of Russian Academy of Science, S. Kovalevskoy Str., 22, Ekaterinburg 620990 Russia.
authors: I V
authors: IV
authors: Shchur
authors: Postovsky Institute of Organic Synthesis of Ural Branch of Russian Academy of Science, S. Kovalevskoy Str., 22, Ekaterinburg 620990 Russia.
authors: Ya V
authors: YV
authors: Burgart
authors: Postovsky Institute of Organic Synthesis of Ural Branch of Russian Academy of Science, S. Kovalevskoy Str., 22, Ekaterinburg 620990 Russia.
authors: V I
authors: VI
authors: Saloutin
authors: Perm National Research Polytechnic University, Komsomolsky Av., 29, Perm 614990, Russia.
authors: A N
authors: AN
authors: Trefilova
authors: Perm National Research Polytechnic University, Komsomolsky Av., 29, Perm 614990, Russia.
authors: G A
authors: GA
authors: Ljushina
authors: Perm National Research Polytechnic University, Komsomolsky Av., 29, Perm 614990, Russia.
authors: S Yu
authors: SY
authors: Solodnikov
authors: Perm National Research Polytechnic University, Komsomolsky Av., 29, Perm 614990, Russia.
authors: L N
authors: LN
authors: Markova
authors: Perm National Research Polytechnic University, Komsomolsky Av., 29, Perm 614990, Russia.
authors: V V
authors: VV
authors: Maslova
authors: Perm National Research Polytechnic University, Komsomolsky Av., 29, Perm 614990, Russia.
authors: O P
authors: OP
authors: Krasnykh
authors: Ufa Institute of Chemistry of Russian Academy of Science, Octyabrya Av., 71, Ufa 450078, Russia.
authors: S S
authors: SS
authors: Borisevich
authors: Ufa Institute of Chemistry of Russian Academy of Science, Octyabrya Av., 71, Ufa 450078, Russia.
authors: S L
authors: SL
authors: Khursan
mesh_terms: D000700:Analgesics / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology / Q000627:therapeutic use*; D000818:Animals; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology / Q000627:therapeutic use*; D051545:Cyclooxygenase 1 / Q000378:metabolism; D016861:Cyclooxygenase Inhibitors / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology / Q000627:therapeutic use*; D004487:Edema / Q000188:drug therapy*; D005260:Female; D054879:Halogenation; D008297:Male; D062105:Molecular Docking Simulation; D017207:Rats, Sprague-Dawley; D017208:Rats, Wistar; D012459:Salicylates / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology / Q000627:therapeutic use*; D012756:Sheep
chemical_list: D000700:Analgesics; D000894:Anti-Inflammatory Agents, Non-Steroidal; D016861:Cyclooxygenase Inhibitors; D012459:Salicylates; D051545:Cyclooxygenase 1
keywords: Anti-inflammatory and analgesic activities; COX-1 inhibition; Molecular docking; Nucleophilic substitution; Permeability; Polyfluoronated salicylates; Toxicity; ortho-Methoxylation