Title of article
CONFORMATIONAL ANALYSIS (GEOMETRY OPTIMIZATION) OF NUCLEOSIDIC ANTITUMOR ANTIBIOTIC SHOWDOMYCIN BY ARGUSLAB 4 SOFTWARE
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
From page
78
To page
82
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
Journal title
Pakistan Journal Of Pharmaceutical Sciences
Journal title
Pakistan Journal Of Pharmaceutical Sciences
Record number
2647160
Link To Document