Synthesis, biological evaluation, molecular docking and theoretical evaluation of ADMET properties of nepodin and chrysophanol derivatives as potential cyclooxygenase (COX-1, COX-2) inhibitors

European Journal of Medicinal Chemistry

Volumn 80, Issue , 2014, Pages 47-56

  Grover, Jagdeep ^a   Kumar, Vivek ^a   Singh, Vikram ^a   Bairwa, Khemraj ^a   Sobhia, M Elizabeth ^a   Jachak, Sanjay M ^a  

^a NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH NIPER   (India)

Author keywords

Anti inflammatory; Chrysophanol; COX inhibitors; Molecular docking; Nepodin

Indexed keywords

1 (1 BUTOXY 8 HYDROXY 3 METHYLNAPHTHALEN 2 YL)ETHANONE; 1 (1 ETHOXY 8 HYDROXY 3 METHYLNAPHTHALEN 2 YL)ETHANONE; 1 (1 HYDROXY 3 METHYL 8 PROPOXYNAPHTHALEN 2 YL)ETHANONE; 1 (1 HYDROXY 8 ISOPROPOXY 3 METHYLNAPHTHALEN 2 YL)ETHANONE; 1 (1 HYDROXY 8 METHOXY 3 METHYLNAPHTHALEN 2 YL)ETHANONE; 1 (8 BUTOXY 1 HYDROXY 3 METHYLNAPHTHALEN 2 YL)ETHANONE; 1 (8 ETHOXY 1 HYDROXY 3 METHYLNAPHTHALEN 2 YL)ETHANONE; 1 (8 HYDROXY 1 ISOPROPOXY 3 METHYLNAPHTHALEN 2 YL)ETHANONE; 1 (8 HYDROXY 1 METHOXY 3 METHYLNAPHTHALEN 2 YL)ETHANONE; 1 (8 HYDROXY 3 METHYL 1 PROPOXYNAPHTHALEN 2 YL)ETHANONE; 1 [1 (2 BROMOBENZYLOXY) 8 HYDROXY 3 METHYLNAPHTHALEN 2 YL]ETHANONE; 1 [1 (3 CHLOROBENZYLOXY) 8 HYDROXY 3 METHYLNAPHTHALEN 2 YL]ETHANONE; 1 [1 (BENZYLOXY) 8 HYDROXY 3 METHYLNAPHTHALEN 2 YL)ETHANONE; 1 [1 HYDROXY 8 (METHOXYMETHOXY) 3 METHYLNAPHTHALEN 2 YL]ETHANONE; 1 [8 (2 BROMOBENZYLOXY) 1 HYDROXY 3 METHYLNAPHTHALEN 2 YL]ETHANONE; 1 [8 (3 CHLOROBENZYLOXY) 1 HYDROXY 3METHYLNAPHTHALEN 2 YL)ETHANONE; 1 [8 (BENZYLOXY) 1 HYDROXY 3 METHYLNAPHTHALEN 2 YL]ETHANONE; 1 [8 HYDROXY 1 (METHOXYMETHOXY) 3 METHYLNAPHTHALEN 2 YL]ETHANONE; 1,8 BIS(2 BROMOBENZYLOXY) 3 METHYLANTHRACENE 9,10 DIONE; 1,8 BIS(4 IODOBENZYLOXY) 3 METHYLANTHRACENE 9,10 DIONE; 1,8 BIS(ALLYLOXY) 3 METHYLANTHRACENE 9,10 DIONE; 1,8 BIS(BENZYLOXY) 3 METHYLANTHRACENE 9,10 DIONE; 1,8 DIBUTOXY 3 METHYLANTHRACENE 9,10 DIONE; 1,8 DIETHOXY 3 METHYLANTHRACENE 9,10 DIONE; 1,8 DIMETHOXY 3 METHYLANTHRACENE 9,10 DIONE; 1,8 DIPROPYLOXY 3 METHYLANTHRACENE 9,10 DIONE; CHRYSOPHANIC ACID DERIVATIVE; CYCLOOXYGENASE 1 INHIBITOR; CYCLOOXYGENASE 2 INHIBITOR; NEPODIN DERIVATIVE; UNCLASSIFIED DRUG; ANTHRAQUINONE DERIVATIVE; CHRYSOPHANIC ACID; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; NAPHTHALENE DERIVATIVE; NEPODIN;

ALKYLATION; ANIMAL EXPERIMENT; ANIMAL MODEL; ANTIINFLAMMATORY ACTIVITY; ARTICLE; BIOLOGICAL ACTIVITY; COMPLEX FORMATION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG ABSORPTION; DRUG SYNTHESIS; ENZYME INHIBITION; FEMALE; HYDROGEN BOND; IN VITRO STUDY; IN VIVO STUDY; LIVER TOXICITY; MOLECULAR DOCKING; NONHUMAN; NUCLEOPHILICITY; PAW EDEMA; RAT; STRUCTURE ACTIVITY RELATION; ABSORPTION; ANIMAL; CHEMISTRY; ENZYME ACTIVE SITE; IC50; METABOLISM; SPRAGUE DAWLEY RAT; SYNTHESIS;

ABSORPTION, PHYSICOCHEMICAL; ANIMALS; ANTHRAQUINONES; CATALYTIC DOMAIN; CHEMISTRY TECHNIQUES, SYNTHETIC; CYCLOOXYGENASE 1; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; FEMALE; INHIBITORY CONCENTRATION 50; MOLECULAR DOCKING SIMULATION; NAPHTHALENES; RATS; RATS, SPRAGUE-DAWLEY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84899108351     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2014.04.033     Document Type: Article

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