Molecular docking: A potential tool to aid ecotoxicity testing in environmental risk assessment of pharmaceuticals

Chemosphere

Volumn 93, Issue 10, 2013, Pages 2568-2577

  Walker, Samantha Dawn ^a   McEldowney, Sharron ^a  

^a UNIVERSITY OF WESTMINSTER   (United Kingdom)

Author keywords

Diclofenac; Environmental risk assessment (ERA); Ibuprofen; Levonorgestrel; Molecular docking

Indexed keywords

AQUATIC ORGANISMS; BIRDS; FISH; MOLECULAR MODELING; ORGANIC POLLUTANTS;

DICLOFENAC; ENVIRONMENTAL RISK ASSESSMENT; IBUPROFEN; LEVONORGESTREL; MOLECULAR DOCKING;

RISK ASSESSMENT;

CYCLOOXYGENASE 2; DICLOFENAC; IBUPROFEN; LEVONORGESTREL; PROGESTERONE RECEPTOR; PROSTAGLANDIN; DRUG; WATER POLLUTANT;

AQUATIC ORGANISM; DRUG; ECOTOXICOLOGY; ENVIRONMENTAL ASSESSMENT; ENVIRONMENTAL RISK; ENZYME ACTIVITY; FECUNDITY; FISH; HORMONE; MOLECULAR ANALYSIS; UNCERTAINTY ANALYSIS;

ARTICLE; ATLANTIC SALMON; DAPHNIA; DAPHNIA PULEX; ECOTOXICITY; ENVIRONMENTAL RISK ASSESSMENT; FERTILITY; FRESHWATER ENVIRONMENT; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DOCKING; NONHUMAN; NONTARGET ORGANISM; RAINBOW TROUT; RISK ASSESSMENT; SEQUENCE ALIGNMENT; XENOPUS LAEVIS; XENOPUS TROPICALIS; ZEBRA FISH; ANIMAL; CHEMICAL STRUCTURE; ECOTOXICOLOGY; ENVIRONMENTAL MONITORING; METABOLISM; PROCEDURES; TOXICITY TESTING; WATER POLLUTANT;

ANURA; DANIO RERIO; DAPHNIA PULEX; ONCORHYNCHUS MYKISS; SALMO SALAR; XENOPUS LAEVIS; XENOPUS TROPICALIS;

ANIMALS; CYCLOOXYGENASE 2; DAPHNIA; ECOTOXICOLOGY; ENVIRONMENTAL MONITORING; MODELS, MOLECULAR; ONCORHYNCHUS MYKISS; PHARMACEUTICAL PREPARATIONS; RECEPTORS, PROGESTERONE; RISK ASSESSMENT; TOXICITY TESTS; WATER POLLUTANTS, CHEMICAL; ZEBRAFISH;

EID: 84886952477     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2013.09.074     Document Type: Article

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