Design, synthesis, and computational affinity prediction of ester soft drugs as inhibitors of dihydrofolate reductase from Pneumocystis carinii

European Journal of Pharmaceutical Sciences

Volumn 22, Issue 1, 2004, Pages 43-54

  Graffner Nordberg, Malin ^a,c   Kolmodin, Karin ^a,d   Åqvist, Johan ^a   Queener, Sherry F ^b   Hallberg, Anders ^a  

^a UPPSALA UNIVERSITY   (Sweden)

^b INDIANA UNIVERSITY   (United States)

^c BIOVITRUM AB   (Sweden)

^d ASTRAZENECA R AND D   (Sweden)

Author keywords

Dihydrofolate reductase; Molecular dynamics; Pneumocystis carinii; Soft drug

Indexed keywords

DIHYDROFOLATE REDUCTASE INHIBITOR; ESTER DERIVATIVE; FUNGAL ENZYME;

ARTICLE; BINDING AFFINITY; CONTROLLED STUDY; CORRELATION ANALYSIS; DRUG ACTIVITY; DRUG DESIGN; DRUG FORMULATION; DRUG POTENCY; DRUG SAFETY; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG SYNTHESIS; HOST; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; NONHUMAN; PNEUMOCYSTIS CARINII; PREDICTION; PRIORITY JOURNAL; SCORING SYSTEM; SIMULATION; TOXICITY;

EID: 2142647173     PISSN: 09280987     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ejps.2004.02.004     Document Type: Article

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