Investigation of biological interactions in Euphorbia rigida extract using molecular docking

Emine İncilay Torunoğlu; Turan Akdağ

Makale detayları

Investigation of biological interactions in Euphorbia rigida extract using molecular docking

Yazarlar:

Emine İncilay Torunoğlu | Turan Akdağ

Yayıncı:

İzzet KARA

Ana Başlıklar:

Structural Biology

Dergi:

International Journal of Secondary Metabolite Vol.12 Issue 2, pp.271-288

Belge Tipi:

Makale

Yayın Tarihi:

1/2025

Belge Dili:

İngilizce

Document ID (Org No.):

2001340476

pISSN:

2148-6905

Anahtar kelimeler:

Özet:

 In this study, the antioxidant activity, phenolic content, and antimicrobial properties of Euphorbia rigida aerial parts methanol extract were investigated. The extract demonstrated significant antioxidant activity with a DPPH radical scavenging activity IC50 value of 919.46 µgmL. The iron chelating activity was characterised by an IC50 value of 4.24 mgmL, with total phenolic content measured at 11.96 mg GAEg extract DW and total flavonoid content at 26.83 mg QEg extract DW. The antimicrobial evaluation compared the E. rigida aerial parts methanol extract to standard drugs such as Ampicillin, Chloramphenicol, and Ketoconazole. The minimum inhibitory concentration MIC and minimum bactericidal concentration MBC values ranged from 12.5 mgmL to 50 mgmL. The extract exhibited strong antibacterial effects with MIC and MBC values of 25 mgmL for E. coli and 12.5 mgmL for B. cereus. Additionally, while some antifungal activity was observed against C. albicans, it was less effective than Ketoconazole. GG-MS analysis identified Guanosine as the most abundant compound in the extract, accounting for 35.78 of the total area. Molecular docking studies with phosphatidylinositol-specific phospholipase C showed that Guanosine had the strongest binding affinity with a binding energy of -5.0 kcalmol, forming multiple interactions. Neophytadiene and Dihydroxyacetone exhibited weaker binding affinities and fewer interactions. Toxicity assessments indicated low toxicity for the extracts components, with LD50 values of 2200 mgkg for Dihydroxyacetone, 13 mgkg for Guanosine, and 500 mgkg for Neophytadiene. In summary, the study sought to elucidate the antimicrobial potential and biological interactions of E. rigida aerial parts methanol extract.

 In this study, the antioxidant activity, phenolic content, and antimicrobial properties of Euphorbia rigida aerial parts methanol extract were investigated. The extract demonstrated significant antioxidant activity with a DPPH radical scavenging activity IC50 value of 919.46 µgmL. The iron chelating activity was characterised by an IC50 value of 4.24 mgmL, with total phenolic content measured at 11.96 mg GAEg extract DW and total flavonoid content at 26.83 mg QEg extract DW. The antimicrobial evaluation compared the E. rigida aerial parts methanol extract to standard drugs such as Ampicillin, Chloramphenicol, and Ketoconazole. The minimum inhibitory concentration MIC and minimum bactericidal concentration MBC values ranged from 12.5 mgmL to 50 mgmL. The extract exhibited strong antibacterial effects with MIC and MBC values of 25 mgmL for E. coli and 12.5 mgmL for B. cereus. Additionally, while some antifungal activity was observed against C. albicans, it was less effective than Ketoconazole. GG-MS analysis identified Guanosine as the most abundant compound in the extract, accounting for 35.78 of the total area. Molecular docking studies with phosphatidylinositol-specific phospholipase C showed that Guanosine had the strongest binding affinity with a binding energy of -5.0 kcalmol, forming multiple interactions. Neophytadiene and Dihydroxyacetone exhibited weaker binding affinities and fewer interactions. Toxicity assessments indicated low toxicity for the extracts components, with LD50 values of 2200 mgkg for Dihydroxyacetone, 13 mgkg for Guanosine, and 500 mgkg for Neophytadiene. In summary, the study sought to elucidate the antimicrobial potential and biological interactions of E. rigida aerial parts methanol extract.

 In this study, the antioxidant activity, phenolic content, and antimicrobial properties of Euphorbia rigida aerial parts methanol extract were investigated. The extract demonstrated significant antioxidant activity with a DPPH radical scavenging activity IC50 value of 919.46 µgmL. The iron chelating activity was characterised by an IC50 value of 4.24 mgmL, with total phenolic content measured at 11.96 mg GAEg extract DW and total flavonoid content at 26.83 mg QEg extract DW. The antimicrobial evaluation compared the E. rigida aerial parts methanol extract to standard drugs such as Ampicillin, Chloramphenicol, and Ketoconazole. The minimum inhibitory concentration MIC and minimum bactericidal concentration MBC values ranged from 12.5 mgmL to 50 mgmL. The extract exhibited strong antibacterial effects with MIC and MBC values of 25 mgmL for E. coli and 12.5 mgmL for B. cereus. Additionally, while some antifungal activity was observed against C. albicans, it was less effective than Ketoconazole. GG-MS analysis identified Guanosine as the most abundant compound in the extract, accounting for 35.78 of the total area. Molecular docking studies with phosphatidylinositol-specific phospholipase C showed that Guanosine had the strongest binding affinity with a binding energy of -5.0 kcalmol, forming multiple interactions. Neophytadiene and Dihydroxyacetone exhibited weaker binding affinities and fewer interactions. Toxicity assessments indicated low toxicity for the extracts components, with LD50 values of 2200 mgkg for Dihydroxyacetone, 13 mgkg for Guanosine, and 500 mgkg for Neophytadiene. In summary, the study sought to elucidate the antimicrobial potential and biological interactions of E. rigida aerial parts methanol extract.

 In this study, the antioxidant activity, phenolic content, and antimicrobial properties of Euphorbia rigida aerial parts methanol extract were investigated. The extract demonstrated significant antioxidant activity with a DPPH radical scavenging activity IC50 value of 919.46 µgmL. The iron chelating activity was characterised by an IC50 value of 4.24 mgmL, with total phenolic content measured at 11.96 mg GAEg extract DW and total flavonoid content at 26.83 mg QEg extract DW. The antimicrobial evaluation compared the E. rigida aerial parts methanol extract to standard drugs such as Ampicillin, Chloramphenicol, and Ketoconazole. The minimum inhibitory concentration MIC and minimum bactericidal concentration MBC values ranged from 12.5 mgmL to 50 mgmL. The extract exhibited strong antibacterial effects with MIC and MBC values of 25 mgmL for E. coli and 12.5 mgmL for B. cereus. Additionally, while some antifungal activity was observed against C. albicans, it was less effective than Ketoconazole. GG-MS analysis identified Guanosine as the most abundant compound in the extract, accounting for 35.78 of the total area. Molecular docking studies with phosphatidylinositol-specific phospholipase C showed that Guanosine had the strongest binding affinity with a binding energy of -5.0 kcalmol, forming multiple interactions. Neophytadiene and Dihydroxyacetone exhibited weaker binding affinities and fewer interactions. Toxicity assessments indicated low toxicity for the extracts components, with LD50 values of 2200 mgkg for Dihydroxyacetone, 13 mgkg for Guanosine, and 500 mgkg for Neophytadiene. In summary, the study sought to elucidate the antimicrobial potential and biological interactions of E. rigida aerial parts methanol extract.

Makale detayları

Investigation of biological interactions in Euphorbia rigida extract using molecular docking

Yazarlar:

Emine İncilay Torunoğlu | Turan Akdağ

Yayıncı:

İzzet KARA

Ana Başlıklar:

Structural Biology

Dergi:

International Journal of Secondary Metabolite Vol.12 Issue 2, pp.271-288

Belge Tipi:

Makale

Yayın Tarihi:

1/2025

Belge Dili:

İngilizce

Document ID (Org No.):

2001340476

pISSN:

2148-6905

Antioxidant activity

Antimicrobial activity

Euphorbia rigida GG-MS analysis

Molecular dockingAntioxidant activity

Antimicrobial activity

Euphorbia rigida GG-MS analysis

Molecular docking

Sayı

Makale detayları

Yazarlar: Emine İncilay Torunoğlu | Turan Akdağ

Yayıncı: İzzet KARA

Ana Başlıklar: Structural Biology

Dergi: International Journal of Secondary Metabolite Vol.12 Issue 2, pp.271-288

Belge Tipi: Makale

Yayın Tarihi: 1/2025

Belge Dili: İngilizce

Document ID (Org No.): 2001340476

pISSN: 2148-6905

Sayı

Yazarlar:

Emine İncilay Torunoğlu | Turan Akdağ

Yayıncı:

İzzet KARA

Ana Başlıklar:

Structural Biology

Dergi:

International Journal of Secondary Metabolite Vol.12 Issue 2, pp.271-288

Belge Tipi:

Makale

Yayın Tarihi:

1/2025

Belge Dili:

İngilizce

Document ID (Org No.):

2001340476

pISSN:

2148-6905