Benner
دنيا لفته الدحيدحاوي ( أستاذ مساعد )
كلية الصيدلة - صيدلة عام
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Coumarins as Potential Antioxidant Agents Complemented with Suggested Mechanisms and Approved by Molecular Modeling Studies
تحميل
بحث النوع:
صيدلة التخصص العام:
Yasameen K. Al-Majedy اسم الناشر:
Al-Duhaidahawi, D.L.; Al-Azawi, K.F.; Al-Amiery, A.A.; Kadhum, A.A.H.; Mohamad, A.B اسماء المساعدين:
Molecules MDPI الجهة الناشرة:
MDPI (Multidisciplinary Digital Publishing Institute) is an academic open-access publisher with headquarters in Basel, Switzerland. Additional offices are located in Beijing and Wuhan (China), Barcelona (Spain) as well as in Belgrade (Serbia). MDPI publishes 160 diverse peer-reviewed, scientific, open access, electronic journals, including Molecules (launched in 1996; Impact Factor 2.465),  
2016 سنة النشر:

الخلاصة

Syntheses of coumarins, which are a structurally interesting antioxidant activity, was done in this article. The modification of 7-hydroxycoumarin by different reaction steps was done to yield target compounds. Molecular structures were characterized by different spectroscopical techniques (Fourier transformation infrared and nuclear magnetic resonance). Antioxidant activities were performed by using various in vitro spectrophometric assays against 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical and hydrogen peroxide (H2O2). All compounds exhibited high efficiency as antioxidants compared to ascorbic acid. The highest efficiency scavenging activity was found for compound 3 (91.0 ± 5.0), followed by compounds 2 and 4 (88.0 ± 2.00; and 87.0 ± 3.00). Ascorbic acid C was used as a standard drug with a percentage inhibition of 91.00 ± 1.5. The mechanism of the synthesized compounds as antioxidants was also studied. Hartree–Fock–based quantum chemical studies have been carried out with the basis set to 3-21G, in order to obtain information about the three-dimensional (3D) geometries, electronic structure, molecular modeling, and electronic levels, namely HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital), to understand the antioxidant activity for the synthesized compounds.