6 (15/50) had been kinases, 16 lyases (8/50), ten (5/50) proteases, and 6 (3/50) oxidoreductases (Fig 10). The prime ten predicted target proteins are shown in Fig 11. The predicted targets also integrated 5 proteins, such as the oxidoreductase MAOA, having a probability of 1 (on a scale of 0), for which curcumin can be a recognized active. Subsequent to these excellent hits, BACE1 yieldedPLOS One particular | doi.org/10.1371/journal.pone.0270123 June 29,15 /PLOS ONECurcumin ameliorates ageing-induced memory impairmentFig 9. Molecular docking of curcumin to KEAP1. (A) Redocking of your bound ligand. (B) Docking pose of curcumin. (C) Interactions from the bound ligand with the protein. (D) Predicted interactions of curcumin with the protein. doi.org/10.1371/journal.pone.0270123.ga incredibly high probability score (0.83) (Fig 11). Vina docking showed a greater binding affinity (Table 2) and comparable binding interactions of curcumin (Fig 12B and 12D) along with the bound ligand harmine (Fig 12A and 12C) for MAOA, supporting the SwissTargetPrediction final results. For BACE1, the estimated binding energies have been -8.5 and -10 for curcumin and SCH734723, respectively (Table two). Within this case, Vina redocking perfectly matched the docking pose of SCH734723 inside the BACE1 crystal structure (Fig 13A). Curcumin was also predicted to dock at the very same binding pocket (Fig 13B). Intriguingly, many equivalent amino acid residues of BACE1 are probably to interact with each the reference ligand and curcumin (Fig 13C and 13D).PLOS One particular | doi.org/10.1371/journal.pone.0270123 June 29,16 /PLOS ONECurcumin ameliorates ageing-induced memory impairmentFig 10. Relative abundance in the class of best 50 predicted molecular targets of curcumin obtained from SwissTargetPrediction. doi.org/10.1371/journal.pone.0270123.gFor instance, GLY72, GLN73, ILE171, and TYR132 interact with each molecules. Ser71, GLY74, and ARG296 can type conventional hydrogen bonds using the curcumin. All round, our molecular docking identifies curcumin as a candidate BACE1 inhibitor.4. DiscussionThis current study investigated the effects of curcumin on D-gal and standard aging-induced memory impairment. In vivo study revealed that curcumin protected the decreasing tendency of D-gal and Typical aging-induced RT and FR in PA and CFC tasks. Additionally, curcumin ameliorated the amount of oxidative tension biomarkers (GSH, SOD, CAT, AOPP, NO MDA). In silico study discerned that curcumin-mediated antioxidant effects in mice could outcome from, at the very least partially, binding with various regulatory proteins like GSTA1, GSTO1, KEAP1, BACE1, and MAOA.Fig 11. Names and target probabilities of prime 10 predicted molecular targets of curcumin obtained from Swiss TargetPrediction. doi.org/10.1371/journal.pone.0270123.gPLOS One particular | doi.FGF-19, Human org/10.IGF-I/IGF-1, Human (67a.a) 1371/journal.PMID:35116795 pone.0270123 June 29,17 /PLOS ONECurcumin ameliorates ageing-induced memory impairmentFig 12. Molecular docking of curcumin to MAOA. (A) Redocking of the bound ligand. (B) Docking pose of curcumin. (C) Interactions from the bound ligand with the protein. (D) Predicted interactions of curcumin with all the protein. doi.org/10.1371/journal.pone.0270123.g4.1. D-gal facilitates memory impairment and mimics normal-aging in miceIn the present study, D-gal and NA mice groups exhibited significantly less RT and FR in PA and CFC tasks, respectively (Figs two). However, the RT and FR had been comparable among D-gal and NA mice groups (Figs two). Numerous studies revealed that a high dose of D-gal impairs ATP production, redox homeostasis, and increases NADP.