NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin

Bioorganic and Medicinal Chemistry

Volumn 18, Issue 16, 2010, Pages 5835-5844

  Gouda, Hiroaki ^a   Sunazuka, Toshiaki ^a   Hirose, Tomoyasu ^a   Iguchi, Kanami ^a   Yamaotsu, Noriyuki ^a   Sugawara, Akihiro ^a   Noguchi, Yoshihiko ^a   Saito, Yoshifumi ^a   Yamamoto, Tsuyoshi ^a   Watanabe, Takeshi ^b   Shiomi, Kazuro ^a   Mura, Satoshi ^a   Hirono, Shuichi ^a  

^a KITASATO UNIVERSITY   (Japan)

^b NIIGATA UNIVERSITY   (Japan)

Author keywords

Binding free energy; Chitinase; Docking; Molecular dynamics; NMR

Indexed keywords

CHITINASE; CHITINASE B; N ACETYL ARGININE[N OMEGA(N METHYLCARBAMOYL)]N METHYL PHENYLALANINE; PHENYLALANINE DERIVATIVE; PROTON; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; COMPLEX FORMATION; CRYSTAL STRUCTURE; ENZYME CONFORMATION; ENZYME STABILITY; ENZYME STRUCTURE; HYDROGEN BOND; IC 50; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NONHUMAN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEAR OVERHAUSER EFFECT; SERRATIA MARCESCENS; SIMULATION;

CHITINASE; DIPEPTIDES; ENZYME INHIBITORS; INHIBITORY CONCENTRATION 50; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR DYNAMICS SIMULATION; PEPTIDES, CYCLIC; SERRATIA MARCESCENS; THERMODYNAMICS;

SERRATIA MARCESCENS;

EID: 77955467025     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2010.06.093     Document Type: Article

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