SAR comparative studies on pyrimido[4,5-b][1,4] benzothiazine derivatives as 15-lipoxygenase inhibitors, using ab initio calculations

Journal of Molecular Modeling

Volumn 14, Issue 6, 2008, Pages 471-478

  Bakavoli, Mehdi ^a   Sadeghian, Hamid ^a   Tabatabaei, Zahra ^a   Rezaei, Elham ^b   Rahimizadeh, Mohammad ^a   Nikpour, Mohsen ^c  

^a FERDOWSI UNIVERSITY OF MASHHAD   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

5 Bromo 2,4 dichloropyrimidine; Docking; QSAR; SLO

Indexed keywords

2 (4 ETHYLPIPERAZIN 1 YL)PYRIMIDO[4,5 B][1,4]BENZOTHIAZINE; 2 (4 METHYLPIPERAZIN 1 YL)PYRIMIDO[4,5 B][1,4]BENZOTHIAZINE; 2 (4 METHYLPIPERIDIN 1 YL)PYRIMIDO[4,5 B][1,4]BENZOTHIAZINE; 2 (MORPHOLIN 1 YL)PYRIMIDO[4,5 B][1,4]BENZOTHIAZINE; 2 (PIPERIDIN 1 YL)PYRIMIDO[4,5 B][1,4]BENZOTHIAZINE; 2 (PYRROLIDIN 1 YL)PYRIMIDO[4,5 B][1,4]BENZOTHIAZINE; ARACHIDONATE 15 LIPOXYGENASE; ARACHIDONATE 15 LIPOXYGENASE INHIBITOR; BENZOTHIAZINE DERIVATIVE; LIPOXYGENASE INHIBITOR; PYRIMIDO[4,5 B][1,4] BENZOTHIAZINE DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL MODIFICATION; CONTROLLED STUDY; DRUG SYNTHESIS; ENZYME INHIBITION; IC 50; MOLECULAR DOCKING; MOLECULAR MODEL; NONHUMAN; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REACTION ANALYSIS; SOYBEAN;

ARACHIDONATE 15-LIPOXYGENASE; ENZYME INHIBITORS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; PYRIMIDINES; SOYBEANS; STRUCTURE-ACTIVITY RELATIONSHIP; THIAZINES;

GLYCINE MAX;

EID: 43849101276     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0298-8     Document Type: Article

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