Phytochemical constituents analysis in laminaria digitata for Alzheimer’s disease: molecular docking and in-silico toxicity approach

References

• Association A. Alzheimer’s disease facts and figures. Alzheimer’s Dementia. 2023;19(4):1598–11. doi: 10.1002/alz.13016
   PubMed Web of Science ®Google Scholar
• Chen ZR, Huang JB, Yang SL, et al. Role of cholinergic signaling in Alzheimer’s disease. Molecules. 2022;27(6):1–23. doi: 10.3390/molecules27061816
   Web of Science ®Google Scholar
• Cacabelos R. Donepezil in Alzheimer’s disease: From conventional trials to pharmacogenetics. Neuropsychiatr Dis Treat. 2007;3(3):303–333. doi: 10.1038/nm1067
   PubMedGoogle Scholar
• Son M, Park C, Rampogu S, et al. Discovery of novel acetylcholinesterase inhibitors as potential candidates for the treatment of Alzheimer’s disease. Int J Mol Sci. 2019;20:1000. doi: 10.3390/ijms20041000
   PubMed Web of Science ®Google Scholar
• Moreira J, Machado M, Dias-Teixeira M, et al. The neuroprotective effect of traditional Chinese medicinal plants—A critical review. Acta Pharm Sin B. 2023;13(8):3208–3237. doi: 10.1016/j.apsb.2023.06.009
   PubMed Web of Science ®Google Scholar
• Wang F, Wang F, Chen T. Secondary metabolites of Galactomyces geotrichum from Laminaria japonica ameliorate cognitive deficits and brain oxidative stress in D-galactose induced Alzheimer’s disease mouse model. Nat Prod Res. 2021;35(23):5323–5328. doi: 10.1080/14786419.2020.1753738
   PubMedGoogle Scholar
• Austad SN, Ballinger S, Buford TW, et al. Targeting whole body metabolism and mitochondrial bioenergetics in the drug development for Alzheimer’s disease. Acta Pharm Sin B. 2022;12(2):511–531. doi: 10.1016/j.apsb.2021.06.014
   PubMed Web of Science ®Google Scholar
• Trushina E, Trushin S, Hasan MF. Mitochondrial complex I as a therapeutic target for Alzheimer’s disease. Acta Pharm Sin B. 2022;12(2):483–495. doi: 10.1016/j.apsb.2021.11.003
   PubMed Web of Science ®Google Scholar
• Hannan MA, Dash R, Haque MN, et al. Neuroprotective potentials of marine algae and their bioactive metabolites: Pharmacological insights and therapeutic advances. Mar Drugs. 2020;18(7):347. doi: 10.3390/md18070347
   PubMed Web of Science ®Google Scholar
• El-Beltagi HS, Mohamed AA, Mohamed HI, et al. Phytochemical and potential properties of seaweeds and their recent applications: A review. Mar Drugs. 2022;20(6):342. doi: 10.3390/md20060342
   PubMed Web of Science ®Google Scholar
• Pakidi CS, Suwoyo HS. Potensi dan Pemanfaatan Bahan Aktif Alga Cokelat Sargassum Sp. Octopus. 2016;5(2):488–498. doi: 10.101/p.algae.2023.05.013
   Google Scholar
• Venkatesan J, Keekan K, Anil S, et al. Phlorotannins. Elsevier. 2019:3. doi: 10.1016/B978-0-08-100596-5.22360-3
   Google Scholar
• Torres PHM, Sodero ACR, Jofily P, et al. Key topics in molecular docking for drug design. Int J Mol Sci. 2019;20(18):1–29. doi: 10.3390/ijms20184574
   Web of Science ®Google Scholar
• Agu PC, Afiukwa CA, Orji OU, et al. Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management. Sci Rep. 2023;13(1):1–18. doi: 10.1038/s41598-023-40160-2
   PubMed Web of Science ®Google Scholar
• Singh V, Mujwar S, Singh M, et al. Computational studies to understand the neuroprotective mechanism of action basil compounds. Molecules. 2023;28(20):7005. doi: 10.3390/molecules28207005
   PubMed Web of Science ®Google Scholar
• Khasanah NU, Wardani GA, Mardianingrum R. Synthesis and computational study of Bis-(1-(3-Chlorobenzoyl)- 3-Phenylthiourea) cobalt (III) as anticancer candidate. J Kim Sains Apl. 2023;26(7):238–248. doi: 10.14710/jksa.26.7.238-248
   Google Scholar
• Vissers AM, Caligiani A, Sforza S, et al. Phlorotannin composition of Laminaria digitata. Phytochemical Anal. 2017;28(6):487–495. doi: 10.1002/pca.2697
   PubMed Web of Science ®Google Scholar
• Park M, Baek SJ, Park SM, et al. Comparative study of the mechanism of natural compounds with similar structures using docking and transcriptome data for improving in silico herbal medicine experimentations. Brief Bioinform. 2023;24(6). doi: 10.1093/bib/bbad344
   Web of Science ®Google Scholar
• Zayed A, Al-Saedi DA, Mensah EO, et al. Fucoidan ’ s molecular targets: A comprehensive review of its unique and multiple targets accounting for promising bioactivities supported by in silico studies. Mar Drugs. 2024;22(1):29. doi: 10.3390/md22010029
   Web of Science ®Google Scholar
• Mohanty M, Mohanty PS. Molecular docking in organic, inorganic, and hybrid systems: a tutorial review. Springer. 2023;154(7):683–707. doi: 10.1007/s00706-023-03076-1
   Google Scholar
• Yasuda Y. Organic chemistry aromatic compounds: understanding the fragrant world of organic chemistry. 2023;6:43–45. doi: 10.37532/jmoc.2023.6(3).43-45
   Google Scholar
• Lanzarotti E, Defelipe LA, Marti MA, et al. Aromatic clusters in protein-protein and protein-drug complexes. J Cheminform. 2020 May 8;12(1):30. doi: 10.1186/s13321-020-00437-4
   PubMed Web of Science ®Google Scholar
• Myung CS, Shin HC, Hai YB, et al. Improvement of memory by dieckol and phlorofucofuroeckol in ethanol-treated mice: Possible involvement of the inhibition of acetylcholinesterase. Arch Pharm Res. 2005;28(6):691–698. doi: 10.1007/BF02969360
   PubMed Web of Science ®Google Scholar
• Metaxas A, Kempf SJ. Neurofibrillary tangles in Alzheimer′s disease: elucidation of the molecular mechanism by immunohistochemistry and tau protein phospho-proteomics. Neural Regen Res. 2016;11(10):1579–1581. doi: 10.4103/1673-5374.193234
   PubMed Web of Science ®Google Scholar
• Marucci G, Buccioni M, Ben DD, et al. Efficacy of acetylcholinesterase inhibitors in Alzheimer’s disease. Neuropharmacology. 2021;190:108352. doi: 10.1016/j.neuropharm.2020.108352
   PubMed Web of Science ®Google Scholar
• Saǧlık BN, Osmaniye D, Çevik UA, et al. Design, synthesis, and structure–activity relationships of thiazole analogs as anticholinesterase agents for alzheimer’s disease. Molecules. 2020;25(18):4312. doi: 10.3390/molecules25184312
   PubMed Web of Science ®Google Scholar
• Lee J, Jun M. Dual BACE1 and cholinesterase inhibitory effects of phlorotannins from ecklonia cava-an in vitro and in silico study. Mar Drugs. 2019;17(2):1–15. doi: 10.3390/md17020091
   Web of Science ®Google Scholar
• Haider A, Inam W, Khan SA, et al. Β-glucan attenuated scopolamine induced cognitive impairment via hippocampal acetylcholinesterase inhibition in rats. Brain Res. 2016;1644:141–148. doi: 10.1016/j.brainres.2016.05.017
   PubMed Web of Science ®Google Scholar
• Subaraja M, Krishnan DA, Hillary VE, et al. Fucoidan serves a neuroprotective effect in an Alzheimer’s disease model. Front Biosci - Elite. 2020;12(1):1–34. doi: 10.2741/E855
   Google Scholar
• Sang VT, Hung ND, Se-Kwon K. Pharmaceutical properties of marine polyphenols: An overview. Acta Pharm Sci. 2019;57(2):217–242. doi: 10.23893/1307-2080.APS.05714
   Google Scholar
• Mateos R, Pérez-Correa JR, Domínguez H. Bioactive properties of marine phenolics. Mar Drugs. 2020;18(10):1–65. doi: 10.3390/md18100501
   Web of Science ®Google Scholar
• Chen WN, Tang KS, Yeong KY. Potential roles of α-amylase in Alzheimer’s disease: Biomarker and drug target. Curr Neuropharmacol. 2021;20(8):1554–1563. doi: 10.2174/1570159x20666211223124715
   Web of Science ®Google Scholar
• Moghadam B, Ashouri M, Roohi H, et al. Computational evidence of new putative allosteric sites in the acetylcholinesterase receptor. J Mol Graph Model. 2021;107:107981. doi: 10.1016/j.jmgm.2021.107981
   PubMed Web of Science ®Google Scholar
• Dhakal A, McKay C, Tanner JJ, et al. Artificial intelligence in the prediction of protein-ligand interactions: recent advances and future directions. Brief Bioinform. 2022;23(1):1–23. doi: 10.1093/bib/bbab476
   Web of Science ®Google Scholar
• Ham Sembiring M, Nursanti O, Aisyah Rahmania T. Molecular docking and toxicity studies of nerve agents against acetylcholinesterase (AChE). J Recept Signal Transduction Res. 2023;43(5):115–122. doi: 10.1080/10799893.2023.2298899
   PubMed Web of Science ®Google Scholar
• Girgin M, Isik S, Kantarci-Carsibasi N, et al. Proposing novel natural compounds against Alzheimer’s disease targeting acetylcholinesterase. PLOS ONE. 2023;18(4):1–23. doi: 10.1371/journal.pone.0284994
   Web of Science ®Google Scholar
• Aatif M, Muteeb G, Alsultan A, et al. Dieckol and its derivatives as potential inhibitors of SARS-CoV-2 spike protein (UK strain: VUI 202012/01): a computational study. Mar Drugs. 2021;19(5):242. doi: 10.3390/md19050242
   PubMed Web of Science ®Google Scholar
• Rahman MM, Islam MR, Akash S, et al. In silico investigation and potential therapeutic approaches of natural products for COVID-19: Computer-aided drug design perspective. Front Cell Infect Microbiol. 2022;12(August):1–28. doi: 10.3389/fcimb.2022.929430
   Google Scholar
• Kang MC, Cha SH, Wijesinghe WA, et al. Protective effect of marine algae phlorotannins against AAPH-induced oxidative stress in zebrafish embryo. Food Chem. 2013;138(2–3):950–955. doi: 10.1016/j.foodchem.2012.11.005
   PubMed Web of Science ®Google Scholar
• Yang H, Yun M-S, Kim J-Y, et al. Acute oral toxicity of Phlorotannins in beagle dogs. Korean Journal of Fisheries and Aquatic Sciences. 2014;47(4):356–362. doi: 10.5657/KFAS.2014.0356
   Google Scholar
• Um MY, Kim JY, Han JK, et al. Phlorotannin supplement decreases wake after sleep onset in adults with self-reported sleep disturbance: a randomized, controlled, double-blind clinical and polysomnographic study. Phytother Res. 2018;32(4):698–704. doi:https://doi.org/10.1002/ptr.6019
   PubMed Web of Science ®Google Scholar
• Banerjee P, Eckert AO, Schrey AK, et al. ProTox-II: a webserver for the prediction of toxicity of chemicals. Nucleic Acids Res. 2018;46(W1):W257–W263. doi: 10.1093/nar/gky318
   PubMed Web of Science ®Google Scholar
• Gadaleta D, Vuković K, Toma C, et al. SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data. J Cheminform. 2019;11(1):1–16. doi: 10.1186/s13321-019-0383-2
   PubMed Web of Science ®Google Scholar
• Heipieper HJ, Martínez PM. Toxicity of Hydrocarbons to Microorganisms. In: Krell T, editor. Cellular Ecophysiology of Microbe. Handbook of Hydrocarbon and Lipid Microbiology. Cham: Springer; 2016. doi: 10.1007/978-3-319-20796-4_45-1
   Google Scholar
• Benet LZ, Hosey CM, Ursu O, et al. BDDCS, the rule of 5 and drugability. Adv Drug Deliv Rev. 2016;101:89–98. doi: 10.1016/j.addr.2016.05.007
   PubMed Web of Science ®Google Scholar
• Ezike TC, Okpala US, Onoja UL, et al. Advances in drug delivery systems, challenges and future directions. Heliyon. 2023;9(6):e17488. doi: 10.1016/j.heliyon.2023.e17488
   PubMed Web of Science ®Google Scholar
• Manandhar S, Sankhe R, Priya K, et al. Molecular dynamics and structure-based virtual screening and identification of natural compounds as wnt signaling modulators: possible therapeutics for Alzheimer’s disease. Mol Divers. 2022;26(5):2793–2811. doi: 10.1007/s11030-022-10395-8
   PubMed Web of Science ®Google Scholar