GC-MS Analysis, Antioxidant, Antidiabetic Activity, and ADMET Study of Diospyros mespiliformis Hochst. Ex A. DC. Ebenaceae Stembark

Muhammad Mubarak Dahıru; Neksumi Musa

Makale detayları

GC-MS Analysis, Antioxidant, Antidiabetic Activity, and ADMET Study of Diospyros mespiliformis Hochst. Ex A. DC. Ebenaceae Stembark

Yazarlar:

Muhammad Mubarak Dahıru | Neksumi Musa

Yayıncı:

Hacettepe University

Ana Başlıklar:

Pharmaceutical Biochemistry | Pharmaceutical Chemistry

Dergi:

Hacettepe University Journal of the Faculty of Pharmacy Vol.44 Issue 3, pp.198-219

Belge Tipi:

Makale

Yayın Tarihi:

1/2024

Belge Dili:

İngilizce

Document ID (Org No.):

2001326131

pISSN:

2458-8806

Anahtar kelimeler:

Özet:

 The present study carried out GC-MS analysis, antioxidant, antidiabetic, and ADMET study of the crude ethanol extract CRE, ethyl acetate EAF, and aqueous AQF fractions of Diospyros mespiliformis DM. Grandiflorenic and cis, cis-linoleic acids were the most abundant of the 59 and 40 compounds identified in the EAF and AQF, respectively. The EAF and CRE exhibited significantly p 0.05 higher total antioxidant capacity than the AQF. Furthermore, the EAF exhibited a significantly p  0.05 higher percentage inhibition via the ferric thiocyanate assay than the CRE and AQF. All the extracts showed significantly p  0.05 lower malondialdehyde concentrations than AA in the thiobarbituric acid assay. Diazoprogesterone identified in the EAF exhibited the lowest binding affinity and inhibition constant, interacting with myeloperoxidase MPO, xanthine XO, and 11-β-hydroxysteroid dehydrogenase HSD1, and sirtuin 6 SIRT6. The molecular dynamics simulations showed residue fluctuations of the diazoprogesterone docked complexes with the highest observed at Ser42, Cys1325, Ser281, and Leu78 for MPO, XO, HSD1, and SIRT6, respectively. Moreover, diazoprogesterone was predicted to possess good ADMET properties. Conclusively, DM possesses significant antioxidant and antidiabetic potential, containing compounds that might be a source of novel therapeutics against oxidative stress and diabetes.

 The present study carried out GC-MS analysis, antioxidant, antidiabetic, and ADMET study of the crude ethanol extract CRE, ethyl acetate EAF, and aqueous AQF fractions of Diospyros mespiliformis DM. Grandiflorenic and cis, cis-linoleic acids were the most abundant of the 59 and 40 compounds identified in the EAF and AQF, respectively. The EAF and CRE exhibited significantly p 0.05 higher total antioxidant capacity than the AQF. Furthermore, the EAF exhibited a significantly p  0.05 higher percentage inhibition via the ferric thiocyanate assay than the CRE and AQF. All the extracts showed significantly p  0.05 lower malondialdehyde concentrations than AA in the thiobarbituric acid assay. Diazoprogesterone identified in the EAF exhibited the lowest binding affinity and inhibition constant, interacting with myeloperoxidase MPO, xanthine XO, and 11-β-hydroxysteroid dehydrogenase HSD1, and sirtuin 6 SIRT6. The molecular dynamics simulations showed residue fluctuations of the diazoprogesterone docked complexes with the highest observed at Ser42, Cys1325, Ser281, and Leu78 for MPO, XO, HSD1, and SIRT6, respectively. Moreover, diazoprogesterone was predicted to possess good ADMET properties. Conclusively, DM possesses significant antioxidant and antidiabetic potential, containing compounds that might be a source of novel therapeutics against oxidative stress and diabetes.

 The present study carried out GC-MS analysis, antioxidant, antidiabetic, and ADMET study of the crude ethanol extract CRE, ethyl acetate EAF, and aqueous AQF fractions of Diospyros mespiliformis DM. Grandiflorenic and cis, cis-linoleic acids were the most abundant of the 59 and 40 compounds identified in the EAF and AQF, respectively. The EAF and CRE exhibited significantly p 0.05 higher total antioxidant capacity than the AQF. Furthermore, the EAF exhibited a significantly p  0.05 higher percentage inhibition via the ferric thiocyanate assay than the CRE and AQF. All the extracts showed significantly p  0.05 lower malondialdehyde concentrations than AA in the thiobarbituric acid assay. Diazoprogesterone identified in the EAF exhibited the lowest binding affinity and inhibition constant, interacting with myeloperoxidase MPO, xanthine XO, and 11-β-hydroxysteroid dehydrogenase HSD1, and sirtuin 6 SIRT6. The molecular dynamics simulations showed residue fluctuations of the diazoprogesterone docked complexes with the highest observed at Ser42, Cys1325, Ser281, and Leu78 for MPO, XO, HSD1, and SIRT6, respectively. Moreover, diazoprogesterone was predicted to possess good ADMET properties. Conclusively, DM possesses significant antioxidant and antidiabetic potential, containing compounds that might be a source of novel therapeutics against oxidative stress and diabetes.

 The present study carried out GC-MS analysis, antioxidant, antidiabetic, and ADMET study of the crude ethanol extract CRE, ethyl acetate EAF, and aqueous AQF fractions of Diospyros mespiliformis DM. Grandiflorenic 25.36 and cis, cis-linoleic 27.13 acids were the most abundant of the 59 and 40 compounds identified in the EAF and AQF, respectively. The EAF and CRE exhibited total antioxidant capacity of 77.78 0.01 ascorbic acid equivalent mg AAEg extract and 60.20 0.01 mg AAEg extract, respectively, significantly p  0.05 than the AQF 29.63 0.01 mg AAEg extract. Furthermore, the EAF 38.27 2.44 exhibited a significantly p  0.05 higher percentage inhibition via the ferric thiocyanate assay than the CRE 17.45 2.18 and AQF 15.91 2.11. All the extracts showed significantly p  0.05 lower malondialdehyde concentrations than AA in the thiobarbituric acid assay. Additionally, the AQF exhibited a significantly higher percentage of H2O2 scavenging than the AA and EAF at 100 µgml. Diazoprogesterone compound III identified in the EAF exhibited the lowest respective binding affinity and inhibition constant, interacting with myeloperoxidase -9 kcalmol and 0.25 µM, xanthine oxidase -9.9 kcalmol and 0.05 µM, 11-β-hydroxysteroid dehydrogenase -10 kcalmol and 0.05µM, and sirtuin 6 -10 kcalmol and 0.05 µM. The molecular dynamics simulations showed residue fluctuations of the diazoprogesterone-docked complexes with the highest observed at Ser42 5.14 Å, Cys1325 8.96 Å, Ser281 7.71 Å, and Leu78 3.91 Å for myeloperoxidase, xanthine oxidase, 11-β-hydroxysteroid dehydrogenase, and sirtuin 6, respectively compared to the undocked targets. Moreover, diazoprogesterone was predicted to possess good ADMET properties. Conclusively, DM possesses significant antioxidant and antidiabetic potential, containing compounds that might be a source of novel therapeutics against oxidative stress and diabetes.

Makale detayları

GC-MS Analysis, Antioxidant, Antidiabetic Activity, and ADMET Study of Diospyros mespiliformis Hochst. Ex A. DC. Ebenaceae Stembark

Yazarlar:

Muhammad Mubarak Dahıru | Neksumi Musa

Yayıncı:

Hacettepe University

Ana Başlıklar:

Pharmaceutical Biochemistry | Pharmaceutical Chemistry

Dergi:

Hacettepe University Journal of the Faculty of Pharmacy Vol.44 Issue 3, pp.198-219

Belge Tipi:

Makale

Yayın Tarihi:

1/2024

Belge Dili:

İngilizce

Document ID (Org No.):

2001326131

pISSN:

2458-8806

Diabetes

Diazoprogesterone

Molecular docking

Molecular dynamics

Oxidative stressDiyabet

Diazoprogesteron

Diospyros mespiliformis

Moleküler yerleştirme

Moleküler dinamik

Oksidatif stres

Sayı

Makale detayları

Yazarlar: Muhammad Mubarak Dahıru | Neksumi Musa

Yayıncı: Hacettepe University

Ana Başlıklar: Pharmaceutical Biochemistry | Pharmaceutical Chemistry

Dergi: Hacettepe University Journal of the Faculty of Pharmacy Vol.44 Issue 3, pp.198-219

Belge Tipi: Makale

Yayın Tarihi: 1/2024

Belge Dili: İngilizce

Document ID (Org No.): 2001326131

pISSN: 2458-8806

Sayı

Yazarlar:

Muhammad Mubarak Dahıru | Neksumi Musa

Yayıncı:

Hacettepe University

Ana Başlıklar:

Pharmaceutical Biochemistry | Pharmaceutical Chemistry

Dergi:

Hacettepe University Journal of the Faculty of Pharmacy Vol.44 Issue 3, pp.198-219

Belge Tipi:

Makale

Yayın Tarihi:

1/2024

Belge Dili:

İngilizce

Document ID (Org No.):

2001326131

pISSN:

2458-8806