Antibacterial and antioxidant activity of compounds from Citrus sinensis peels and in silico molecular docking study

Raey Yohanes; Teshome Geremew; Milkyas Endale Annisa

Makale detayları

Antibacterial and antioxidant activity of compounds from Citrus sinensis peels and in silico molecular docking study

Yazarlar:

Raey Yohanes | Teshome Geremew | Milkyas Endale Annisa

Yayıncı:

İzzet KARA

Ana Başlıklar:

Structural Biology

Dergi:

International Journal of Secondary Metabolite Vol.10 Issue 3, pp.437-458

Belge Tipi:

Makale

Yayın Tarihi:

8/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001293608

pISSN:

2148-6905

Anahtar kelimeler:

Özet:

 The increasing prevalence of drug resistance, adverse side effects of existing antibiotics, and the resurgence of previously known infections have necessitated the search for new, safe, and effective antimicrobial agents. The peels of Citrus sinensis 300 g were extracted using maceration and ultrasonic-assisted extraction methods with ethanol, resulting in yields of 20.99 g and 11.5 g 7, 7.5, respectively. Silica gel column chromatographic separation of the ethanol extract yielded N-1,3,4,5-tetrahydroxydecan-2-y1octanamide 1, decanoic acid 2, β-sitosterol-3-O-β-D-glucopyranoside derivative 3, and z-ethyl tetradec-7-enoate 4. GC-MS analysis of the essential oil detected 7 chemical components accounting for 99.84 of the total composition of which limonene was found to be the predominant constituent 87.5. In vitro antibacterial tests revealed promising zones of inhibition by ethanol extract 12.670.58 mm, at 150 mgmL, compound 4 15.672.88 mm, at 6 mgmL, and compound 1 12.000.00 mm, at 6 mgmL against E. faecalis, S. typhimurium, and P. aeruginosa, respectively, compared to gentamicin 13.001.73 mm, 18.001.00 mm, and 16.671.15 mm, respectively at 10 µgmL. DPPH radical scavenging activity indicated that compound 1 exhibited an IC50 value of 0.05 mgmL, compared to ascorbic acids 0.016 mgmL. In silico molecular docking studies revealed that compounds 1 and 3 had the lowest scoring poses against E. coli DNA gyrase B enzyme, human peroxiredoxin 5, and S. aureus pyruvate kinase, respectively. These findings support traditional applications of Citrus peels in treating infectious diseases, particularly against Gram-positive strains, and highlight their potential use as antibacterial ingredients in cosmetics.

 The increasing prevalence of drug resistance, adverse side effects of existing antibiotics, and the resurgence of previously known infections have necessitated the search for new, safe, and effective antimicrobial agents. The peels of Citrus sinensis 300 g were extracted using maceration and ultrasonic-assisted extraction methods with ethanol, resulting in yields of 20.99 g and 11.5 g 7, 7.5, respectively. Silica gel column chromatographic separation of the ethanol extract yielded N-1,3,4,5-tetrahydroxydecan-2-y1octanamide 1, decanoic acid 2, β-sitosterol-3-O-β-D-glucopyranoside derivative 3, and z-ethyl tetradec-7-enoate 4. GC-MS analysis of the essential oil detected 7 chemical components accounting for 99.84 of the total composition of which limonene was found to be the predominant constituent 87.5. In vitro antibacterial tests revealed promising zones of inhibition by ethanol extract 12.670.58 mm, at 150 mgmL, compound 4 15.672.88 mm, at 6 mgmL, and compound 1 12.000.00 mm, at 6 mgmL against E. faecalis, S. typhimurium, and P. aeruginosa, respectively, compared to gentamicin 13.001.73 mm, 18.001.00 mm, and 16.671.15 mm, respectively at 10 µgmL. DPPH radical scavenging activity indicated that compound 1 exhibited an IC50 value of 0.05 mgmL, compared to ascorbic acids 0.016 mgmL. In silico molecular docking studies revealed that compounds 1 and 3 had the lowest scoring poses against E. coli DNA gyrase B enzyme, human peroxiredoxin 5, and S. aureus pyruvate kinase, respectively. These findings support traditional applications of Citrus peels in treating infectious diseases, particularly against Gram-positive strains, and highlight their potential use as antibacterial ingredients in cosmetics.

 The increasing prevalence of drug resistance, adverse side effects of existing antibiotics, and the resurgence of previously known infections have necessitated the search for new, safe, and effective antimicrobial agents. The peels of Citrus sinensis 300 g were extracted using maceration and ultrasonic-assisted extraction methods with ethanol, resulting in yields of 20.99 g and 11.5 g 7, 7.5, respectively. Silica gel column chromatographic separation of the ethanol extract yielded N-1,3,4,5-tetrahydroxydecan-2-y1octanamide 1, decanoic acid 2, β-sitosterol-3-O-β-D-glucopyranoside derivative 3, and z-ethyl tetradec-7-enoate 4. GC-MS analysis of the essential oil detected 7 chemical components accounting for 99.84 of the total composition of which limonene was found to be the predominant constituent 87.5. In vitro antibacterial tests revealed promising zones of inhibition by ethanol extract 12.670.58 mm, at 150 mgmL, compound 4 15.672.88 mm, at 6 mgmL, and compound 1 12.000.00 mm, at 6 mgmL against E. faecalis, S. typhimurium, and P. aeruginosa, respectively, compared to gentamicin 13.001.73 mm, 18.001.00 mm, and 16.671.15 mm, respectively at 10 µgmL. DPPH radical scavenging activity indicated that compound 1 exhibited an IC50 value of 0.05 mgmL, compared to ascorbic acids 0.016 mgmL. In silico molecular docking studies revealed that compounds 1 and 3 had the lowest scoring poses against E. coli DNA gyrase B enzyme, human peroxiredoxin 5, and S. aureus pyruvate kinase, respectively. These findings support traditional applications of Citrus peels in treating infectious diseases, particularly against Gram-positive strains, and highlight their potential use as antibacterial ingredients in cosmetics.

 The increasing prevalence of drug resistance, adverse side effects of existing antibiotics, and the resurgence of previously known infections have necessitated the search for new, safe, and effective antimicrobial agents. The peels of Citrus sinensis 300 g were extracted using maceration and ultrasonic-assisted extraction methods with ethanol, resulting in yields of 20.99 g and 11.5 g 7, 7.5, respectively. Silica gel column chromatographic separation of the ethanol extract yielded N-1,3,4,5-tetrahydroxydecan-2-y1octanamide 1, decanoic acid 2, β-sitosterol-3-O-β-D-glucopyranoside derivative 3, and z-ethyl tetradec-7-enoate 4. GC-MS analysis of the essential oil detected 7 chemical components accounting for 99.84 of the total composition of which limonene was found to be the predominant constituent 87.5. In vitro antibacterial tests revealed promising zones of inhibition by ethanol extract 12.670.58 mm, at 150 mgmL, compound 4 15.672.88 mm, at 6 mgmL, and compound 1 12.000.00 mm, at 6 mgmL against E. faecalis, S. typhimurium, and P. aeruginosa, respectively, compared to gentamicin 13.001.73 mm, 18.001.00 mm, and 16.671.15 mm, respectively at 10 µgmL. DPPH radical scavenging activity indicated that compound 1 exhibited an IC50 value of 0.05 mgmL, compared to ascorbic acids 0.016 mgmL. In silico molecular docking studies revealed that compounds 1 and 3 had the lowest scoring poses against E. coli DNA gyrase B enzyme, human peroxiredoxin 5, and S. aureus pyruvate kinase, respectively. These findings support traditional applications of Citrus peels in treating infectious diseases, particularly against Gram-positive strains, and highlight their potential use as antibacterial ingredients in cosmetics.

Makale detayları

Antibacterial and antioxidant activity of compounds from Citrus sinensis peels and in silico molecular docking study

Yazarlar:

Raey Yohanes | Teshome Geremew | Milkyas Endale Annisa

Yayıncı:

İzzet KARA

Ana Başlıklar:

Structural Biology

Dergi:

International Journal of Secondary Metabolite Vol.10 Issue 3, pp.437-458

Belge Tipi:

Makale

Yayın Tarihi:

8/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001293608

pISSN:

2148-6905

Citrus sinesis

Antimicrobial activity

Antioxidant activity

Molecular docking

Essential oilsCitrus sinesis

Antimicrobial activity

Antioxidant activity

Molecular docking

Essential oils

Sayı

Makale detayları

Yazarlar: Raey Yohanes | Teshome Geremew | Milkyas Endale Annisa

Yayıncı: İzzet KARA

Ana Başlıklar: Structural Biology

Dergi: International Journal of Secondary Metabolite Vol.10 Issue 3, pp.437-458

Belge Tipi: Makale

Yayın Tarihi: 8/2023

Belge Dili: İngilizce

Document ID (Org No.): 2001293608

pISSN: 2148-6905

Sayı

Yazarlar:

Raey Yohanes | Teshome Geremew | Milkyas Endale Annisa

Yayıncı:

İzzet KARA

Ana Başlıklar:

Structural Biology

Dergi:

International Journal of Secondary Metabolite Vol.10 Issue 3, pp.437-458

Belge Tipi:

Makale

Yayın Tarihi:

8/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001293608

pISSN:

2148-6905