Molecular docking and ADME studies of natural compounds of agarwood oil for topical anti-inflammatory activity

Current Computer-Aided Drug Design

Volumn 9, Issue 3, 2013, Pages 360-370

  Yadav, Dharmendra K ^a   Mudgal, Vipin ^a   Agrawal, Jyoti ^a   Maurya, Anil K ^a   Bawankule, Dnyaneshwar U ^a   Chanotiya, Chandan S ^a   Khan, Feroz ^a   Thul, Sanjog T ^a,b  

^a CSIR CENTRAL INSTITUTE OF MEDICINAL AND AROMATIC PLANTS   (India)

^b NATIONAL ENVIRONMENTAL ENGINEERING RESEARCH INSTITUTE   (India)

Author keywords

ADME T; Agarospirol; Aquilaria; Docking; Ear oedema; GC MS analysis; In silico molecular modelling; QSAR

Indexed keywords

BINDING ENERGY; CHEMICAL ANALYSIS; COMPUTATIONAL CHEMISTRY; LINEAR REGRESSION; MAMMALS; MOLECULAR GRAPHICS; PATHOLOGY;

ADME/T; AGAROSPIROL; AQUILARIUM; DOCKING; EAR EDEMA; GC/MS ANALYSIS; IN SILICO MOLECULAR MODELING; IN-SILICO; MOLECULAR DOCKING; QSAR;

MOLECULAR MODELING;

10 EPI GAMMA EUDESMOL; AGAROSPIROL; AGARWOOD OIL; ALPHA AGAROFURAN; BETA AGAROFURAN; DICLOFENAC; ESSENTIAL OIL; HINESOL; INDOMETACIN; INTERLEUKIN 1BETA; INTERLEUKIN 6; JINKOH EREMOL; MALONALDEHYDE; PLANT MEDICINAL PRODUCT; TUMOR NECROSIS FACTOR ALPHA; UNCLASSIFIED DRUG;

ANIMAL EXPERIMENT; ANIMAL MODEL; ANTIINFLAMMATORY ACTIVITY; ARTICLE; BINDING AFFINITY; CARBON NUCLEAR MAGNETIC RESONANCE; CARCINOGENICITY; COMPUTER MODEL; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG ABSORPTION; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG METABOLISM; EAR EDEMA; FEMALE; MASS FRAGMENTOGRAPHY; MOLECULAR DOCKING; MOUSE; MUTAGENICITY; NONHUMAN; OTITIS; PARTITION COEFFICIENT; PUNCH BIOPSY; SCORING SYSTEM;

ANIMALS; ANTI-INFLAMMATORY AGENTS; EAR; EDEMA; FEMALE; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; LINEAR MODELS; MICE; MOLECULAR DOCKING SIMULATION; PLANT OILS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SESQUITERPENES; SESQUITERPENES, EUDESMANE; SPIRO COMPOUNDS; TETRAHYDRONAPHTHALENES; THYMELAEACEAE;

EID: 84888071501     PISSN: 15734099     EISSN: 18756697     Source Type: Journal    
DOI: 10.2174/1573409911309030012     Document Type: Article

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