title: Cytolytic Activity and Molecular Feature of Cardiotoxin and Cardiotoxin-like Basic Protein: The Electrostatic Potential Field Is an Important Factor for Cell Lytic Activity.
abstract: OBJECTIVE
  Cardiotoxin (CT) is a well-known cell lytic protein and has been purified from cobra venom. Cardiotoxin-like basic protein (CLBP) has two amino acid insertions and does not exhibit cell lytic activity. The molecular features of these CT family proteins were examined in the present study using molecular modeling and molecular simulation techniques.
  
  
  METHODS
  Molecular models of CT and CLBP were constructed based on the X-ray data of Naja mossambica mossambica CT VII4 (Protein Data Bank ID: 1CDT). The structural features of these models were examined using molecular orbital and electrostatic potential parameters.
  
  
  RESULTS
  The stereo-hydrophobicities and molecular torsions of CT and CLBP, which are indexes of structural features, were similar. Electrostatic potential fields (ESP) differed between CT and CLBP and this was considered one of the critical factors in molecular titer.
  
  
  CONCLUSIONS
  The distribution of ESP fields may affect the cytolytic activity of the CT family.
authors.affiliation: Faculty of Pharmaceutical Sciences, Chiba Institute of Science, Chiba, Japan.
authors.forename: Yuki
authors.initials: Y
authors.lastname: Kawaguchi
authors.affiliation: Faculty of Pharmaceutical Sciences, Suzuka University of Medical Science, Mie, Japan.
authors.forename: Yohei
authors.initials: Y
authors.lastname: Tatematsu
authors.affiliation: Department of Life System, Institute of Technology and Science, University of Tokushima Graduate School, Tokushima, Japan.
authors.forename: Atsushi
authors.initials: A
authors.lastname: Tabata
authors.affiliation: Department of Life System, Institute of Technology and Science, University of Tokushima Graduate School, Tokushima, Japan.
authors.forename: Hideaki
authors.initials: H
authors.lastname: Nagamune
authors.affiliation: Faculty of Pharmaceutical Sciences, Chiba Institute of Science, Chiba, Japan Faculty of Pharmaceutical Sciences, Suzuka University of Medical Science, Mie, Japan kohkura@suzuka-u.ac.jp.
authors.forename: Kazuto
authors.initials: K
authors.lastname: Ohkura
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D004179:Cobra Cardiotoxin Proteins / Q000737:chemistry* / Q000302:isolation & purification / Q000494:pharmacology*; D017815:Elapidae; D057927:Hydrophobic and Hydrophilic Interactions; D008958:Models, Molecular; D008969:Molecular Sequence Data; D011487:Protein Conformation; D016415:Sequence Alignment; D055672:Static Electricity
chemical_list: D004179:Cobra Cardiotoxin Proteins; C082202:cardiotoxin III, Naja naja atra
keywords: Cytotoxicity; cardiotoxin; electrostatic potential