Author/Authors :
NAZ, AFSHAN University of Karachi - Department of Biochemistry, Biophysics Research Unit, Pakistan , BANO, KHALIDA University of Karachi - Department of Biochemistry, Biophysics Research Unit, Pakistan , BANO, FARHAT University of Karachi - Department of Biochemistry, Biophysics Research Unit, Pakistan , GHAFOOR, NAJAF ABBAS University of Karachi - Department of Biochemistry, Biophysics Research Unit, Pakistan , AKHTAR, NAHEED University of Karachi - Department of Biochemistry, Biophysics Research Unit, Pakistan
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.
Keywords :
Anti , tumor drug , Showdomycin , Arguslab 4.0.1 , conformational analysis , geometry optimization
