title: Conformational analysis (geometry optimization) of nucleosidic antitumor antibiotic showdomycin by Arguslab 4 software.
abstract: Showdomycin is a naturally maleimide antitumor antibiotic of the C-nucleoside, it inhibits the nucleic acid synthesis in bacteria. Conformational analysis and geometry optimization of showdomycin was performed according to the Hartree-Fock (HF) calculation method by ArgusLab 4.0.1 software. The minimum potential energy is calculated by geometry convergence function by ArgusLab software. The most feasible position for the drug to interact with the receptor was found to be 0.269696 K.cal/mole.
authors.affiliation: Department of Biochemistry, University of Karachi, Karachi-75270, Pakistan.
authors.forename: Afshan
authors.initials: A
authors.lastname: Naz
authors.forename: Khalida
authors.initials: K
authors.lastname: Bano
authors.forename: Farhat
authors.initials: F
authors.lastname: Bano
authors.forename: Najaf Abbas
authors.initials: NA
authors.lastname: Ghafoor
authors.forename: Naheed
authors.initials: N
authors.lastname: Akhtar
mesh_terms: D000903:Antibiotics, Antineoplastic / Q000737:chemistry*; D003198:Computer Simulation; D008958:Models, Molecular; D008968:Molecular Conformation; D021281:Quantitative Structure-Activity Relationship; D012787:Showdomycin / Q000737:chemistry*; D012984:Software
chemical_list: D000903:Antibiotics, Antineoplastic; D012787:Showdomycin