Molecular docking of cathepsin L inhibitors in the binding site of papain

Journal of Chemical Information and Modeling

Volumn 48, Issue 7, 2008, Pages 1464-1472

  Beavers, Mary Pat ^a   Myers, Michael C ^a   Shah, Parag P ^a   Purvis, Jeremy E ^a   Diamond, Scott L ^a   Cooperman, Barry S ^a   Huryn, Donna M ^a   Smith III, Amos B ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; ENANTIOMERS; HYDROGEN BONDS; LIGANDS; MOLECULAR MODELING; NITROGEN COMPOUNDS; PAPAIN;

CO-ORDINATE SYSTEM; CONSERVED RESIDUES; LIPOPHILIC INTERACTION; MOLECULAR DOCKING; POTENT INHIBITOR; SMALL MOLECULE INHIBITOR; STEREOGENIC CENTERS; STRUCTURAL WATER;

BINDING ENERGY;

CATHEPSIN; CATHEPSIN L; CYSTEINE PROTEINASE; CYSTEINE PROTEINASE INHIBITOR; PAPAIN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; DRUG ANTAGONISM; HYDROGEN BOND; KINETICS; METABOLISM;

BINDING SITES; CATHEPSINS; CYSTEINE ENDOPEPTIDASES; CYSTEINE PROTEINASE INHIBITORS; HYDROGEN BONDING; KINETICS; MODELS, MOLECULAR; PAPAIN;

EID: 49449089299     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800085c     Document Type: Article

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