Synthesis, docking simulation, biological evaluations and 3D-QSAR study of 5-Aryl-6-(4-methylsulfonyl)-3-(metylthio)-1,2,4-triazine as selective cyclooxygenase-2 inhibitors

Bioorganic and Medicinal Chemistry

Volumn 22, Issue 2, 2014, Pages 865-873

  Irannejad, Hamid ^a   Kebriaieezadeh, Abbas ^b   Zarghi, Afshin ^c   Montazer Sadegh, Farhad ^b   Shafiee, Abbas ^d   Assadieskandar, Amir ^e   Amini, Mohsen ^e  

^a MAZANDARAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^b TEHRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^c SHAHID BEHESHTI UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^d TEHRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^e TEHRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

Author keywords

1,2,4 Triazine; 3D QSAR; Cyclooxygenase; Docking; Inflammatory and analgesic properties

Indexed keywords

5 (4 CHLOROPHENYL) 6 [4 (METHYLSULFONYL]PHENYL) 3 (METHYLTHIO) 5 (4 TOLYL) 1,2,4 TRIAZINE; 5 (4 FLUOROPHENYL) 6 [4 (METHYLSULFONYL]PHENYL) 3 (METHYLTHIO) 5 (4 TOLYL) 1,2,4 TRIAZINE; 5 (4 METHOXYPHENYL) 6 [4 (METHYLSULFONYL]PHENYL) 3 (METHYLTHIO) 5 (4 TOLYL) 1,2,4 TRIAZINE; 5 ARYL 6 (4 METHYLSULFONYL) 3 (METHYLTHIO) 1,2,4 TRIAZINE DERIVATIVE; 6 [4 (METHYLSULFONYL]PHENYL) 3 (METHYLTHIO) 5 (4 TOLYL) 1,2,4 TRIAZINE; 6 [4 (METHYLSULFONYL]PHENYL) 3 (METHYLTHIO) 5 PHENYL 1,2,4 TRIAZINE; CYCLOOXYGENASE 2 INHIBITOR; INDOMETACIN; UNCLASSIFIED DRUG; 1,2,4-TRIAZINE; CARRAGEENAN; CYCLOOXYGENASE 2; NONSTEROID ANTIINFLAMMATORY AGENT; TRIAZINE DERIVATIVE;

ACCLIMATIZATION; ANALGESIC ACTIVITY; ANALYSIS OF VARIANCE; ANIMAL EXPERIMENT; ANIMAL MODEL; ANTIINFLAMMATORY ACTIVITY; ANTINOCICEPTION; ARTICLE; CATALYSIS; CONTROLLED STUDY; CRYSTALLIZATION; DRUG BINDING; DRUG EFFICACY; DRUG POTENCY; DRUG SYNTHESIS; ENZYME INHIBITION; HYDROPHILICITY; HYDROPHOBICITY; IN VITRO STUDY; IN VIVO STUDY; MALE; MOLECULAR DOCKING; MOUSE; NONHUMAN; PAW EDEMA; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; STEREOCHEMISTRY; THIN LAYER CHROMATOGRAPHY; THREE DIMENSIONAL IMAGING; ANIMAL; CHEMICAL STRUCTURE; CHEMICALLY INDUCED; CHEMISTRY; DOSE RESPONSE; EDEMA; METABOLISM; SYNTHESIS;

ANIMALS; ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL; CARRAGEENAN; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; DOSE-RESPONSE RELATIONSHIP, DRUG; EDEMA; MALE; MICE; MOLECULAR DOCKING SIMULATION; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; TRIAZINES;

EID: 84892567487     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2013.12.002     Document Type: Article

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