Molecular modeling of human acidic mammalian chitinase in complex with the natural-product cyclopentapeptide chitinase inhibitor argifin

Bioorganic and Medicinal Chemistry

Volumn 17, Issue 17, 2009, Pages 6270-6278

  Gouda, Hiroaki ^a   Terashima, Shinichi ^a   Iguchi, Kanami ^a   Sugawara, Akihiro ^a   Saito, Yoshifumi ^a   Yamamoto, Tsuyoshi ^a   Hirose, Tomoyasu ^a   Shiomi, Kazuro ^a   Sunazuka, Toshiaki ^a   Omura, Satoshi ^a   Hirono, Shuichi ^a  

^a KITASATO UNIVERSITY   (Japan)

Author keywords

Binding free energy; Docking; In silico drug design; Molecular dynamics

Indexed keywords

ANTIASTHMATIC AGENT; ARGIFIN; CHITINASE; CHITOTRIOSIDASE; ENZYME INHIBITOR; HUMAN ACIDIC MAMMALIAN CHITINASE; NATURAL PRODUCT; PEPTIDE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; DRUG DESIGN; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME INHIBITION; MOLECULAR DOCKING; MOLECULAR MODEL; PROTEIN FUNCTION; SEQUENCE HOMOLOGY; SIMULATION;

AMINO ACID SEQUENCE; ANTI-ASTHMATIC AGENTS; CHITINASE; COMPUTER SIMULATION; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; MODELS, CHEMICAL; MOLECULAR SEQUENCE DATA; PEPTIDES, CYCLIC; PROTEIN STRUCTURE, TERTIARY; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY, AMINO ACID; THERMODYNAMICS;

MAMMALIA;

EID: 68649118594     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2009.07.045     Document Type: Article

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