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Information Seminar Paper

Title

COMPUTER AIDED DRUG STUDIES OF METHICILLIN CONTAINING ISOXAZOLE DERIVATIVES AS TARGETED ANTIBIOTICS

Writers

KARIMZADEH P. | GHOFRANI M.

Pages

 Start Page | End Page

Abstract

 MOLECULAR DOCKING TECHNIQUES HAVE BECOME ONE OF THE MOST POPULAR AND SUCCESSFUL APPROACHES IN DRUG DISCOVERY. THIS PAPER DESCRIBES THE COMPREHENSIVE EVALUATION DOCKING OF METHICILLIN CONTAINING ISOXAZOLE DERIVATIVES AS INHIBITORS TO STAPHYLOCOCCUS AUREUS.THE INHIBITORY ACTIVITIES AGAINST S. AUREUS B-KETOACYL-ACYL CARRIER PROTEIN (ACP) SYNTHESIS III (FABH) WERE ENQUIRED BY MOLECULAR DOCKING USING THE HEX DOCKING SOFTWARE (V 6.1). RESULTS CONFIRM ALL THE DESIGNED COMPOUNDS WERE GOOD BINDINGENERGY WHEN COMPARED WITH THE BINGING ENERGIES OF STANDARD DRUGS SUCH AS VANCOMYCIN (-179.66), CIPROFLOXACIN (-147.11) AND GENTAMCIN (-234.45). AMONG ALL THE DESIGNED COMPOUNDS, THE COMPOUND 4 INDICATE MORE BINDING ENERGY VALUE (-327.48). THE PRESENT STUDY THEREFORE WE DESIGNED TO SYNTHESIS THESE METHICILLIN DERIVATIVES AND SCREEN FOR IN-VITRO ANTIBACTERIAL EFFECT ON S. AUREUS AND OTHER MICROORGANISMS.

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