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20221
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Subject: Chemistry × Author: Akansha × End date: 2022 × Start date: 2022 ×
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    Chemical composition and antifungal potential of kalonji (Nigella sativa L.) seeds and clove (Syzygium aromaticum) essential oils and their major constituents
    (Punjab Agricultural University, Ludhiana, 2022) Akansha; Kaushal, Sonia
    The present study investigates the chemical composition and antifungal potential of kalonji (Nigella sativa L.) seeds and clove (Syzygium aromaticum) buds essential oils and their major constituents. The kalonji seeds and clove buds essential oils were extracted by hydrodistillation and characterized by Gas Chromatography-Mass Spectrometry. Thymoquinone (18.07%) and eugenol (68.64%) were major compounds in kalonji seeds and clove buds essential oils respectively and were isolated by column chromatography. Both the essential oils and their major compounds were tested for their antifungal activity against Colletorichum gloeosporoides and Penicillium digitatum using poison food technique. Among the essential oils, clove buds essential oil was more effective having MIC values of 18 and 35 ppm against P. digitatum and C. gloeosporoides respectively. Among the major compounds, thymoquinone was more effective having MIC values of 7.0 and 8.5 ppm against P. digitatum and C. gloeosporoides respectively. The synergistic interaction of kalonji seeds / clove buds essential oils and thymoquinone /eugenol against above said fungi was tested by checkerboard method. The combination of eugenol and thymoquinone showed a synergistic interaction against P. digitatum (FICI: 0.48). Molecular docking studies of major compounds present in kalonji seeds and clove buds essential oil suggested that thymoquinone bound effectively with targeted fungal protein i.e., α-β-tubulin with the maximum binding energy of -5.15 kcal mol-1 . Hence, thymoquinone and combination of thymoquinone and eugenol present as major compounds in kalonji seeds and clove buds essential oils can be used as natural and ecofriendly antifungal agents against C. gloeosporoides and P. digitatum respectively.