Homology modeling and virtual screening for antagonists of protease from yellow head virus

Journal of Molecular Modeling

Volumn 20, Issue 3, 2014, Pages

  Unajak, Sasimanas ^a   Sawatdichaikul, Orathai ^a   Songtawee, Napat ^b   Rattanabunyong, Siriluk ^a   Tassnakajon, Anchalee ^c   Areechon, Nontawith ^a   Hirono, Ikuo ^d   Kondo, Hidehiro ^d   Khunrae, Pongsak ^e   Rattanarojpong, Triwit ^e   Choowongkomon, Kiattawee ^a  

^a KASETSART UNIVERSITY   (Thailand)

^b MAHIDOL UNIVERSITY   (Thailand)

^c CHULALONGKORN UNIVERSITY   (Thailand)

^d TOKYO UNIVERSITY OF MARINE SCIENCE AND TECHNOLOGY   (Japan)

^e KING MONGKUT'S UNIVERSITY OF TECHNOLOGY THONBURI   (Thailand)

Author keywords

Homology modeling; In vitro inhibiting assay; Molecular docking; Molecular dynamics simulations; Virtual screening; Yellow head virus protease

Indexed keywords

ANTIVIRUS AGENT; PROTEINASE INHIBITOR; ENZYME INHIBITOR; PEPTIDE HYDROLASE; VIRUS PROTEIN;

ARTICLE; BINDING SITE; DRUG SCREENING; ENZYME INHIBITOR INTERACTION; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; NUCLEOTIDE SEQUENCE; PRIORITY JOURNAL; PROTEIN SECONDARY STRUCTURE; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY; SHRIMP; VIRTUAL REALITY; VIRUS; VIRUS INFECTION; YELLOW HEAD VIRUS; AMINO ACID SEQUENCE; ANIMAL; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; ENZYMOLOGY; GENETICS; MOLECULAR GENETICS; NIDOVIRALES; PENAEIDAE; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE; VIROLOGY;

BACTERIA (MICROORGANISMS); DECAPODA (CRUSTACEA); YELLOW HEAD VIRUS;

AMINO ACID SEQUENCE; ANIMALS; ANTIVIRAL AGENTS; BINDING SITES; ENZYME INHIBITORS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; PENAEIDAE; PEPTIDE HYDROLASES; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; RONIVIRIDAE; SEQUENCE HOMOLOGY, AMINO ACID; VIRAL PROTEINS;

EID: 84899111367     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2116-9     Document Type: Article

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