Conformational analysis (geometry optimization) of nucleosidic antitumor antibiotic showdomycin by Arguslab 4 software
Naz, A.; Bano, K.; Bano, F.; Ghafoor, N.Abbas.; Akhtar, N.
Pakistan Journal of Pharmaceutical Sciences 22(1): 78-82
2009
ISSN/ISBN: 1011-601X PMID: 19168426 Document Number: 634716
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.