Thiazolidinedione Derivatives: In Silico, In Vitro, In Vivo, Antioxidant and Anti-Diabetic Evaluation
This work aimed to synthesize a new antihyperglycemic thiazolidinedione based on the spectral data. The DFT\B3LYP\6-311G** level of theory was used to investigate the frontier molecular orbitals (FMOs), chemical reactivity and map the molecular electrostatic potentials (MEPs) to explain how the synt...
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MDPI AG
2022-01-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/3/830 |
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| author | Manal Y. Sameeh Manal M. Khowdiary Hisham S. Nassar Mahmoud M. Abdelall Hamada H. Amer Abdelaaty Hamed Ahmed A. Elhenawy |
| author_facet | Manal Y. Sameeh Manal M. Khowdiary Hisham S. Nassar Mahmoud M. Abdelall Hamada H. Amer Abdelaaty Hamed Ahmed A. Elhenawy |
| author_sort | Manal Y. Sameeh |
| collection | DOAJ |
| description | This work aimed to synthesize a new antihyperglycemic thiazolidinedione based on the spectral data. The DFT\B3LYP\6-311G** level of theory was used to investigate the frontier molecular orbitals (FMOs), chemical reactivity and map the molecular electrostatic potentials (MEPs) to explain how the synthesized compounds interacted with the receptor. The molecular docking simulations into the active sites of PPAR-<i>γ</i> and <i>α</i>-amylase were performed. The in vitro potency of these compounds via <i>α</i>-amylase and radical scavenging were evaluated. The data revealed that compounds (<b>4</b>–<b>6</b>) have higher potency than the reference drugs. The anti-diabetic and anti-hyperlipidemic activities for thiazolidine-2,4-dione have been investigated in vivo using the alloxan-induced diabetic rat model along with the 30 days of treatment protocol. The investigated compounds didn’t show obvious reduction of blood glucose during pre-treatments compared to diabetic control, while after 30 days of treatments, the blood glucose level was lower than that of the diabetic control. Compounds (<b>4</b>–<b>7</b>) were able to regulate hyperlipidemia levels (cholesterol, triglyceride, high-density lipoproteins and low- and very-low-density lipoproteins) to nearly normal value at the 30th day. |
| first_indexed | 2024-03-09T23:29:28Z |
| format | Article |
| id | doaj.art-a9a703b02259401ab2bb04486b5daac5 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T23:29:28Z |
| publishDate | 2022-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-a9a703b02259401ab2bb04486b5daac52023-11-23T17:13:09ZengMDPI AGMolecules1420-30492022-01-0127383010.3390/molecules27030830Thiazolidinedione Derivatives: In Silico, In Vitro, In Vivo, Antioxidant and Anti-Diabetic EvaluationManal Y. Sameeh0Manal M. Khowdiary1Hisham S. Nassar2Mahmoud M. Abdelall3Hamada H. Amer4Abdelaaty Hamed5Ahmed A. Elhenawy6Chemistry Department, Faculty of Applied Science, Umm El Qura Branch, Makkah 24211, Saudi ArabiaChemistry Department, Faculty of Applied Science, Umm El Qura Branch, Makkah 24211, Saudi ArabiaDepartment of Chemistry, Faculty of Science and Arts in Al-Mukhwah, Al-Baha University, Al Bahah 65311, Saudi ArabiaChemistry Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo 11884, EgyptDepartment of Animal Medicine and Infectious Diseases, Faculty of Veterinary Medicine, University of Sadat City, Sadat City 32958, EgyptChemistry Department, Faculty of Science, Al-Azhar University, Nasr City, Cairo 11884, EgyptDepartment of Chemistry, Faculty of Science and Arts in Al-Mukhwah, Al-Baha University, Al Bahah 65311, Saudi ArabiaThis work aimed to synthesize a new antihyperglycemic thiazolidinedione based on the spectral data. The DFT\B3LYP\6-311G** level of theory was used to investigate the frontier molecular orbitals (FMOs), chemical reactivity and map the molecular electrostatic potentials (MEPs) to explain how the synthesized compounds interacted with the receptor. The molecular docking simulations into the active sites of PPAR-<i>γ</i> and <i>α</i>-amylase were performed. The in vitro potency of these compounds via <i>α</i>-amylase and radical scavenging were evaluated. The data revealed that compounds (<b>4</b>–<b>6</b>) have higher potency than the reference drugs. The anti-diabetic and anti-hyperlipidemic activities for thiazolidine-2,4-dione have been investigated in vivo using the alloxan-induced diabetic rat model along with the 30 days of treatment protocol. The investigated compounds didn’t show obvious reduction of blood glucose during pre-treatments compared to diabetic control, while after 30 days of treatments, the blood glucose level was lower than that of the diabetic control. Compounds (<b>4</b>–<b>7</b>) were able to regulate hyperlipidemia levels (cholesterol, triglyceride, high-density lipoproteins and low- and very-low-density lipoproteins) to nearly normal value at the 30th day.https://www.mdpi.com/1420-3049/27/3/830thiazolidinedionesanti-diabeticantioxidantmolecular docking |
| spellingShingle | Manal Y. Sameeh Manal M. Khowdiary Hisham S. Nassar Mahmoud M. Abdelall Hamada H. Amer Abdelaaty Hamed Ahmed A. Elhenawy Thiazolidinedione Derivatives: In Silico, In Vitro, In Vivo, Antioxidant and Anti-Diabetic Evaluation Molecules thiazolidinediones anti-diabetic antioxidant molecular docking |
| title | Thiazolidinedione Derivatives: In Silico, In Vitro, In Vivo, Antioxidant and Anti-Diabetic Evaluation |
| title_full | Thiazolidinedione Derivatives: In Silico, In Vitro, In Vivo, Antioxidant and Anti-Diabetic Evaluation |
| title_fullStr | Thiazolidinedione Derivatives: In Silico, In Vitro, In Vivo, Antioxidant and Anti-Diabetic Evaluation |
| title_full_unstemmed | Thiazolidinedione Derivatives: In Silico, In Vitro, In Vivo, Antioxidant and Anti-Diabetic Evaluation |
| title_short | Thiazolidinedione Derivatives: In Silico, In Vitro, In Vivo, Antioxidant and Anti-Diabetic Evaluation |
| title_sort | thiazolidinedione derivatives in silico in vitro in vivo antioxidant and anti diabetic evaluation |
| topic | thiazolidinediones anti-diabetic antioxidant molecular docking |
| url | https://www.mdpi.com/1420-3049/27/3/830 |
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