Computational and biochemical docking of the irreversible cocaine analog RTI 82 directly demonstrates ligand positioning in the dopamine transporter central substrate-binding site

Journal of Biological Chemistry

Volumn 289, Issue 43, 2014, Pages 29712-29727

  Dahal, Rejwi Acharya ^a   Pramod, Akula Bala ^a   Sharma, Babita ^a   Krout, Danielle ^a   Foster, James D ^a   Cha, Joo Hwan ^b   Cao, Jianjing ^b   Newman, Amy Hauck ^b   Lever, John R ^c,d,e   Vaughan, Roxanne A ^a   Henry, L Keith ^a  

^a UNIVERSITY OF NORTH DAKOTA SCHOOL OF MEDICINE AND HEALTH SCIENCES   (United States)

^b NATIONAL INSTITUTE ON DRUG ABUSE   (United States)

^c VETERANS AFFAIRS MEDICAL CENTER   (United States)

^d Radiopharmaceutical Sciences Institute   (United States)

^e University of Missouri   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; AMINO ACIDS; LIGANDS; NEUROPHYSIOLOGY; PHARMACODYNAMICS;

COMPARATIVE MODELING; COMPETITIVE MECHANISMS; CYANOGEN BROMIDE; DOPAMINE TRANSPORTERS; LIGAND-PROTEIN INTERACTION; METHIONINE SUBSTITUTIONS; SUBSTRATE-BINDING SITES; TRANSPORT INHIBITORS;

BINDING SITES;

3 BETA (4 CHLOROPHENYL)TROPANE 2BETA CARBOXYLIC ACID, 4 AZIDO 3' IODOPHENYLETHYL ESTER I 125; COCAINE DERIVATIVE; CYANOGEN BROMIDE; DOPAMINE TRANSPORTER; METHIONINE; UNCLASSIFIED DRUG; AZIDE; COCAINE; LIGAND; MESYLIC ACID DERIVATIVE; METHANETHIOSULFONATE; MUTANT PROTEIN; RTI 82;

AMINO ACID SUBSTITUTION; ARTICLE; BINDING KINETICS; BINDING SITE; CONTROLLED STUDY; CROSS LINKING; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG STRUCTURE; HUMAN; HUMAN CELL; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; PEPTIDE MAPPING; PHARMACOPHORE; RAT; ANALOGS AND DERIVATIVES; ANIMAL; CHEMISTRY; ENZYME SPECIFICITY; HELA CELL LINE; LLC PK1 CELL LINE; METABOLISM; SWINE;

ANIMALS; AZIDES; BINDING SITES; COCAINE; CYANOGEN BROMIDE; DOPAMINE PLASMA MEMBRANE TRANSPORT PROTEINS; HELA CELLS; HUMANS; LIGANDS; LLC-PK1 CELLS; MESYLATES; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MUTANT PROTEINS; RATS; SUBSTRATE SPECIFICITY; SWINE;

EID: 84908457188     PISSN: 00219258     EISSN: 1083351X     Source Type: Journal    
DOI: 10.1074/jbc.M114.571521     Document Type: Article

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