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Virtual Screening, Synthesis, and Biological Evaluation of Some Carbohydrazide Derivatives as Potential DPP-IV Inhibitors

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dc.contributor.author Jadhav, Prerana B.
dc.contributor.author Jadhav, Shailaja B.
dc.contributor.author Zehravi, Mehrukh
dc.contributor.author Mubarak, Mohammad S.
dc.contributor.author Islam, Fahadul
dc.contributor.author Jeandet, Philippe
dc.contributor.author Khan, Sharuk L.
dc.contributor.author Hossain, Nazmul
dc.contributor.author Rashid, Salma
dc.contributor.author Ming, Long Chiau
dc.contributor.author Sarker, Md. Moklesur Rahman
dc.contributor.author Azlina, Mohd Fahami Nur
dc.date.accessioned 2024-05-23T06:06:08Z
dc.date.available 2024-05-23T06:06:08Z
dc.date.issued 2023-01-28
dc.identifier.uri http://dspace.daffodilvarsity.edu.bd:8080/handle/123456789/12437
dc.description.abstract Dipeptidyl peptidase-4 (DPP-IV) inhibitors are known as safe and well-tolerated antidiabetic medicine. Therefore, the aim of the present work was to synthesize some carbohydrazide derivatives (1a-5d) as DPP-IV inhibitors. In addition, this work involves simulations using molecular docking, ADMET analysis, and Lipinski and Veber's guidelines. Wet-lab synthesis was used to make derivatives that met all requirements, and then FTIR, NMR, and mass spectrometry were used to confirm the structures and perform biological assays. In this context, in vitro enzymatic and in vivo antidiabetic activity evaluations were carried out. None of the molecules had broken the majority of the drug-likeness rules. Furthermore, these molecules were put through additional screening using molecular docking. In molecular docking experiments (PDB ID: 2P8S), many molecules displayed more potent interactions than native ligands, exhibiting more hydrogen bonds, especially those with chloro- or fluoro substitutions. Our findings indicated that compounds 5b and 4c have IC50 values of 28.13 and 34.94 µM, respectively, under in vitro enzymatic assays. On the 21st day of administration to animals, compound 5b exhibited a significant reduction in serum blood glucose level (157.33 ± 5.75 mg/dL) compared with the diabetic control (Sitagliptin), which showed 280.00 ± 13.29 mg/dL. The antihyperglycemic activity showed that the synthesized compounds have good hypoglycemic potential in fasting blood glucose in the type 2 diabetes animal model (T2DM). Taken all together, our findings indicate that the synthesized compounds exhibit excellent hypoglycemic potential and could be used as leads in developing novel antidiabetic agents. en_US
dc.language.iso en_US en_US
dc.publisher Daffodil International University en_US
dc.subject DPP-IV en_US
dc.subject in vivo en_US
dc.subject carbohydrazide en_US
dc.subject 2P8S en_US
dc.subject ADMET en_US
dc.subject molecular docking en_US
dc.title Virtual Screening, Synthesis, and Biological Evaluation of Some Carbohydrazide Derivatives as Potential DPP-IV Inhibitors en_US
dc.type Article en_US


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