title: Prediction of the virulencies of some enveloped viruses from the structure of the cleavage recognition site of viral glycoproteins essential for infectivity. I. Calculation of interaction energy.
abstract: Some evidences have been found that virulency in paramyxoviruses depends on the sensitivity of the cleavage recognition site of the F glycoprotein to serine type proteases. In this report, the interaction energies between the active site of trypsin and the cleavage recognition sites in paramyxoviruses are calculated. Results show that van der Waals energy and electrostatic energy contribute to the sensitivity. The virulencies of some myxo- and retro-viruses are then predicted on the basis of the two calculated interaction energy values.
authors.affiliation: Institute for Molecular and Cellular Biology, Osaka University, Japan.
authors.forename: Y
authors.initials: Y
authors.lastname: Okada
authors.forename: Y
authors.initials: Y
authors.lastname: Shima
authors.forename: T
authors.initials: T
authors.lastname: Shimamoto
authors.forename: N
authors.initials: N
authors.lastname: Kusaka
authors.forename: Y
authors.initials: Y
authors.lastname: Kiho
mesh_terms: D000595:Amino Acid Sequence; D001665:Binding Sites; D008969:Molecular Sequence Data; D015394:Molecular Structure; D009975:Orthomyxoviridae / Q000378:metabolism / Q000472:pathogenicity; D010252:Paramyxoviridae / Q000378:metabolism / Q000472:pathogenicity; D012190:Retroviridae / Q000378:metabolism / Q000472:pathogenicity; D012984:Software; D013816:Thermodynamics; D014357:Trypsin; D014760:Viral Fusion Proteins / Q000378:metabolism*; D014774:Virulence; D014780:Viruses / Q000378:metabolism / Q000472:pathogenicity*
chemical_list: D014760:Viral Fusion Proteins; D014357:Trypsin