In vitro inhibitory profile of NDGA against AChE and its in silico structural modifications based on ADME profile

Journal of Molecular Modeling

Volumn 19, Issue 3, 2013, Pages 1179-1194

  Remya, Chandran ^a   Dileep, Kalarickal Vijayan ^a   Tintu, Ignatius ^a   Variyar, Elessery Jayadevi ^a   Sadasivan, Chittalakkottu ^a  

^a KANNUR UNIVERSITY   (India)

Author keywords

Acetylcholinesterase; ADME; CNS activity; Induced fit docking; NDGA

Indexed keywords

2 (DIMETHYLAMINO) 1 [5 [3 [(3 HYDROXYPHENYL)METHYL] 2 METHYLBUTYL] 2,3 DIHYDRO 1H ISOINDOL 2 YL]ETHAN 1 ONE; 2 (DIMETHYLAMINO) 5 [4 [2 (DIMETHYLAMINO) 2,3 DIHYDRO 1H INDEN 5 YL] 2,3 DIMETHYLBUTYL]PHENOL; 2 (DIMETHYLAMINO)ETHYL 4 (2,3 DIMETHYL 4 PHENYLBUTYL)BENZOATE; 2 [[4 (2,3 DIMETHYL 4 PHENYLBUTYL)PHENYL]METHYL]PIPERIDINE; 3 [3 [[3 [1 (DIMETHYLAMINO)PROPAN 2 YL]PHENYL]METHYL] 2 METHYLBUTYL]PHENOL; 3 [3 [[4 [2 (DIMETHYLAMINO)ETHYL]PHENYL]METHYL] 2 METHYLBUTYL]PHENOL; 3 [4 [2 [1 (DIMETHYLAMINO)PROPAN 2 YL] 2,3 DIHYDRO 1H ISOINDOL 5 YL] 2,3 DIMETHYLBUTYL]PHENOL; 3 [4 [7 [1 (DIMETHYLAMINO)PROPAN 2 YL] 2,3 DIHYDRO 1H ISOINDOL 5 YL] 2,3 DIMETHYLBUTYL]PHENOL; 4 (3 BENZYL 2 METHYLBUTYL) 2 [1 (DIMETHYLAMINO)ETHYL]PHENOL; 4 [3 [[4 [1 (DIMETHYLAMINO)ETHYL]PHENYL]METHYL] 2 METHYLBUTYL]PHENOL; 4 [4 [2 (DIMETHYLAMINO) 2,3 DIHYDRO 1H INDEN 5 YL] 2,3 DIMETHYLBUTYL]PHENOL; 4 [4 [2 (DIMETHYLAMINO) 2,3 DIHYDRO 1H INDEN 5 YL] 2,3 DIMETHYLBUTYL]PHENYLCARBOXIMIDATE; 4 [4 [7 [1 (DIMETHYLAMINO)PROPAN 2 YL] 2,3 DIHYDRO 1H ISOINDOL 5 YL] 2,3 DIMETHYLBUTYL]PHENOL; 5 [3 [[4 [1 (DIMETHYLAMINO)ETHYL]PHENYL]METHYL] 2 METHYLBUTYL] 2,3 DIHYDRO 1H ISOINDOL 4 OL; 5 [4 (2,3 DIHYDRO 1H ISOINDOL 5 YL) 2,3 DIMETHYLBUTYL] 2 [1 (DIMETHYLAMINO)ETHYL]PHENOL; 5 [4 (2,3 DIHYDRO 1H ISOINDOL 5 YL) 2,3 DIMETHYLBUTYL] 2 [2 (DIMETHYLAMINO)ETHYL]PHENOL; 5 [4 [2 (DIMETHYLAMINO) 2,3 DIHYDRO 1H INDEN 5 YL] 2,3 DIMETHYLBUTYL] 2 [(DIMETHYLAMINO)METHYL]PHENOL; 6 [3 [[4 [1 (DIMETHYLAMINO)ETHYL]PHENYL]METHYL] 2 METHYLBUTYL] 1,3 DIHYDRO 2 BENZOFURAN 4 OL; [1 [4 [4 (2,3 DIHYDRO 1H ISOINDOL 5 YL) 2,3 DIMETHYLBUTYL] 2 METHYLPHENYL]ETHYL]DIMETHYLAMINE; [1 [4 [4 (2,3 DIHYDRO 1H ISOINDOL 5 YL) 2,3 DIMETHYLBUTYL]PHENYL]ETHYL]DIMETHYLAMINE; [2 [6 (3 BENZYL 2 METHYLBUTYL) 2,3 DIHYDRO 1H ISOINDOL 4 YL]PROPYL]DIMETHYLAMINE; [5 [4 (2,3 DIHYDRO 1H ISOINDOL 5 YL) 2,3 DIMETHYLBUTYL] 2 METHOXYPHENOXY]DIMETHYLAMINE; [5 [4 (2,3 DIHYDRO 1H ISOINDOL 5 YL) 2,3 DIMETHYLBUTYL] 2 METHOXYPHENOXYMETHYL]DIMETHYLAMINE; [[5 [4 (2,3 DIHYDRO 1H ISOINDOL 5 YL) 2,3 DIMETHYLBUTYL] 2 METHOXYPHENYL]METHYL]DIMETHYLAMINE; ACETYLCHOLINESTERASE; CHOLINESTERASE INHIBITOR; NATURAL PRODUCT; NORDIHYDROGUAIARETIC ACID; NORDIHYDROGUAIARETIC ACID DERIVATIVE; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ARTICLE; BLOOD BRAIN BARRIER; CHEMICAL MODIFICATION; CHOLINESTERASE INHIBITION; COMPUTER MODEL; DRUG ACTIVITY; DRUG DESIGN; DRUG PENETRATION; DRUG SCREENING; DRUG STRUCTURE; ENZYME KINETICS; IC 50; IN VITRO STUDY; MOLECULAR DOCKING; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; VIRTUAL REALITY;

ACETYLCHOLINE; ACETYLCHOLINESTERASE; ALZHEIMER DISEASE; ANTIOXIDANTS; BLOOD-BRAIN BARRIER; CHOLINESTERASE INHIBITORS; HUMANS; LARREA; NORDIHYDROGUAIARETIC ACID; OXIDATIVE STRESS; PLANT PREPARATIONS;

EID: 84877151278     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1656-0     Document Type: Article

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