A theoretical study of salicylate oxidation for ADME prediction

Medicinal Chemistry Research

Volumn 20, Issue 3, 2011, Pages 269-273

  Santos Borges, R ^a   Salgado Mendes, A P ^a   Souza E Silva, B H ^a   Nahum Alves, C ^a   Martins Do Nascimento, J L ^a  

^a FEDERAL UNIVERSITY OF PARÁ   (Brazil)

Author keywords

ADME; DFT; Metabolism; Regioselective; Salicylic acid; Spin density

Indexed keywords

CARBON; CARBONYL DERIVATIVE; CYTOCHROME P450; HYDROGEN; HYDROXYL GROUP; OXYGEN; SALICYLIC ACID;

ARTICLE; DISSOCIATION; DRUG HYDROXYLATION; DRUG OXIDATION; ELECTRON TRANSPORT; ENERGY; HYDROGEN BOND; QUANTUM CHEMISTRY; STEREOCHEMISTRY; THEORETICAL STUDY;

EID: 79958082788     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-010-9320-7     Document Type: Article

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