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- W4328015238 endingPage "9303" @default.
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- W4328015238 abstract "Recently, scientists developed a powerful strategy called one drug-multiple targets to discover vital and unique therapies to fight the most challenging diseases. Novel derivatives of isatin-based Schiff bases 2-7 have been synthesized by the reaction of 3-hydrazino-isatin (1) with aryl aldehydes, hetero-aryl aldehydes, and dialdehydes. The structure of the synthesized derivatives was proved by physical and spectral analysis. Additionally, in vitro biological studies were performed, including antioxidant, anti-diabetic, anti-Alzheimer, and anti-arthritic activities. The four derivatives 3b, 5a, 5b, and 5c possess the highest activities. Among the four potent derivatives, compound 5a exhibited the highest antioxidant (TAC = 68.02 ± 0.15 mg gallic acid per g; IRP = 50.39 ± 0.11) and scavenging activities (ABTS = 53.98 ± 0.12% and DPPH = 8.65 ± 0.02 μg mL-1). Furthermore, compound 5a exhibited an α-amylase inhibitory percentage of 57.64 ± 0.13% near the acarbose (ACA = 69.11 ± 0.15%) and displayed inhibitor activity of the acetylcholinesterase (AChE) enzyme = 36.38 ± 0.08%. Moreover, our work extended to determining the anti-arthritic effect, and compound 5a revealed good inhibitor activities with very close values for proteinase denaturation (PDI) = 39.59 ± 0.09% and proteinase inhibition (PI) = 36.39 ± 0.08%, compared to diclofenac sodium PDI = 49.33 ± 0.11% and PI = 41.88 ± 0.09%. Additionally, the quantum chemical calculations, including HOMO, LUMO, and energy band gap were determined, and in silico ADMET properties were predicted, and their probability was recorded. Finally, molecular docking simulations were performed inside α-amylase and acetylcholinesterase enzymes." @default.
- W4328015238 created "2023-03-22" @default.
- W4328015238 creator A5037556654 @default.
- W4328015238 creator A5066993565 @default.
- W4328015238 creator A5085367213 @default.
- W4328015238 creator A5091685554 @default.
- W4328015238 date "2023-01-01" @default.
- W4328015238 modified "2023-09-30" @default.
- W4328015238 title "Exploring novel derivatives of isatin-based Schiff bases as multi-target agents: design, synthesis, <i>in vitro</i> biological evaluation, and <i>in silico</i> ADMET analysis with molecular modeling simulations" @default.
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