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- W4383695384 abstract "Current oral medications for type 2 diabetes target a single main physiological mechanism. They either activate or inhibit receptors to enhance insulin sensitivity, increase insulin secretion, inhibit glucose absorption, or inhibit glucose production. In advanced stages, combination therapy may be required because of the limited efficacy of single-target drugs; however, medications are becoming more costly, and there is also the risk of developing the combined side effects of each drug. Thus, identifying a multi-target drug may be the best strategy to improve treatment efficacy. This study sees the potential of 2657 Filipino phytochemicals as a source of natural inhibitors against four targets of diabetes: PTP1B, DPP-4, SGLT-2, and FBPase. Different computer-aided drug discovery techniques, including ADMET profiling, DFT optimization, molecular docking, MD simulations, and MM/PBSA energy calculations, were employed to elucidate the stability and determine the binding affinity of the candidate ligands. Through in silico methods, we have identified seven potential natural inhibitors against PTP1B, DPP-4, and FBPase, and ten against SGLT-2. Eight plants containing at least one natural inhibitor of each protein target were also identified. It is recommended to further investigate the plants’ potential to be transformed into a safe and scientifically validated multi-target drug for diabetes therapies." @default.
- W4383695384 created "2023-07-10" @default.
- W4383695384 creator A5000246597 @default.
- W4383695384 creator A5079956273 @default.
- W4383695384 date "2023-07-09" @default.
- W4383695384 modified "2023-10-18" @default.
- W4383695384 title "In Silico Screening and Identification of Antidiabetic Inhibitors Sourced from Phytochemicals of Philippine Plants against Four Protein Targets of Diabetes (PTP1B, DPP-4, SGLT-2, and FBPase)" @default.
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- W4383695384 doi "https://doi.org/10.3390/molecules28145301" @default.
- W4383695384 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37513175" @default.
- W4383695384 hasPublicationYear "2023" @default.
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