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

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Heidari soureshjani Ehsan; Kazemi babahedari Ali; Karimi shamsabadi Maryam; KABIRI HAMIDREZA

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Seminar Paper

Paper Information

Seminar: INTERNATIONAL IRANIAN BIOLOGY CONFERENCE
Year:2012 | Issue:17

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Title

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

Author(s)

Heidari soureshjani Ehsan | Kazemi babahedari Ali | Karimi shamsabadi Maryam | KABIRI HAMIDREZA

Keywords

DOCKING ENERGY

DRUG DESIGN

FABH

ISOXAZOLE

METHICILLIN

S. AUREUS

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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APA: Copy

Heidari soureshjani, Ehsan, Kazemi babahedari, Ali, Karimi shamsabadi, Maryam, & KABIRI, HAMIDREZA. (2012). COMPUTER AIDED DRUG STUDIES OF METHICILLIN CONTAINING ISOXAZOLE DERIVATIVES AS TARGETED ANTIBIOTICS. INTERNATIONAL IRANIAN BIOLOGY CONFERENCE. SID. https://sid.ir/paper/929063/en

Vancouver: Copy

Heidari soureshjani Ehsan, Kazemi babahedari Ali, Karimi shamsabadi Maryam, KABIRI HAMIDREZA. COMPUTER AIDED DRUG STUDIES OF METHICILLIN CONTAINING ISOXAZOLE DERIVATIVES AS TARGETED ANTIBIOTICS. 2012. Available from: https://sid.ir/paper/929063/en

IEEE: Copy

Ehsan Heidari soureshjani, Ali Kazemi babahedari, Maryam Karimi shamsabadi, and HAMIDREZA KABIRI, “COMPUTER AIDED DRUG STUDIES OF METHICILLIN CONTAINING ISOXAZOLE DERIVATIVES AS TARGETED ANTIBIOTICS,” presented at the INTERNATIONAL IRANIAN BIOLOGY CONFERENCE. 2012, [Online]. Available: https://sid.ir/paper/929063/en

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