Conformational analysis (geometry optimization) of nucleosidic antitumor antibiotic showdomycin by Arguslab 4 software.
2009; University of Karachi; Volume: 22; Issue: 1 Linguagem: Inglês
ISSN
1011-601X
AutoresAfshan Naz, Khalida Bano, Farhat Bano, Najaf Abbas Ghafoor, Naheed Akhtar,
Tópico(s)Metal complexes synthesis and properties
ResumoShowdomycin 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.
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