References
- Abramowski, D., Rigo, M., Duc, D., Hoyer, D., & Staufenbiel, M. (1995). Localization of the 5-hydroxytryptamine2C receptor protein in human and rat brain using specific antisera. Neuropharmacology, 34(12), 1635–1645. https://doi.org/https://doi.org/10.1016/0028-3908(95)00138-7
- Alex, K. D., Yavanian, G. J., McFarlane, H. G., Pluto, C. P., & Pehek, E. A. (2005). Modulation of dopamine release by striatal 5-HT2C receptors. Synapse (New York, N.Y.).), 55(4), 242–251. https://doi.org/https://doi.org/10.1002/syn.20109
- AnalytiCon Discovery NP. Available online: zinc.docking.org/catalogs/acdiscnp (9-06-2019) - Google Search. (n.d.). Retrieved November 29, 2019, from https://www.google.com/search?q=AnalytiCon+Discovery+NP.+Available+online%3A+zinc.docking.org%2Fcatalogs%2Facdiscnp+(9-06-2019)&oq=AnalytiCon+Discovery+NP.+Available+online%3A+zinc.docking.org%2Fcatalogs%2Facdiscnp+(9-06-2019)&aqs=chrome.69i57.492j0j4&sourceid=chrome&ie=UTF-8
- Ashraf, G., Greig, N., Khan, T., Hassan, I., Tabrez, S., Shakil, S., Sheikh, I., Zaidi, S., Akram, M., Jabir, N., Firoz, C., Naeem, A., Alhazza, I., Damanhouri, G., & Kamal, M. (2014). Protein Misfolding and aggregation in Alzheimer's disease and type 2 diabetes mellitus. CNS & Neurological Disorders Drug Targets, 13(7), 1280–1293. https://doi.org/https://doi.org/10.2174/1871527313666140917095514
- Basile, A. S., Fedorova, I., Zapata, A., Liu, X., Shippenberg, T., Duttaroy, A., Yamada, M., & Wess, J. (2002). Deletion of the M5 muscarinic acetylcholine receptor attenuates morphine reinforcement and withdrawal but not morphine analgesia. Proceedings of the National Academy of Sciences of the United States of America, 99(17), 11452–11457. https://doi.org/https://doi.org/10.1073/pnas.162371899
- Bird, T. D. (1993). Alzheimer Disease Overview. In GeneReviews®. http://www.ncbi.nlm.nih.gov/pubmed/20301340
- Bowers, K. J., Chow, D. E., Xu, H., Dror, R. O., Eastwood, M. P., Gregersen, B. A., Klepeis, J. L., Kolossvary, I., Moraes, M. A., Sacerdoti, F. D., Salmon, J. K., Shan, Y., & Shaw, D. E. (2006). Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters. Proceedings of the ACM/IEEE Conferenceon Supercomputing (SC06), Tampa, Florida, USA. https://doi.org/https://doi.org/10.1109/sc.2006.54
- Calixto, J. B. (2019). The role of natural products in modern drug discovery. Anais da Academia Brasileira de Ciências, 91(suppl. 3), 1-7. https://doi.org/https://doi.org/10.1590/0001-3765201920190105
- Chaudhary, A., Maurya, P. K., Yadav, B. S., Singh, S., & Mani, A. (2018). Current therapeutic targets for Alzheimer’s disease. Journal of Biomedicine, 3, 74–84. https://doi.org/https://doi.org/10.7150/jbm.26783
- Chen, G. F., Xu, T. H., Yan, Y., Zhou, Y. R., Jiang, Y., Melcher, K., & Xu, H. E. (2017). Amyloid beta: Structure, biology and structure-based therapeutic development. Acta Pharmacologica Sinica, 38(9), 1205–1235. (Issue Nature Publishing Group. https://doi.org/https://doi.org/10.1038/aps.2017.28
- CHRM5 protein [Homo sapiens] - Protein - NCBI. (n.d.). Retrieved November 28, 2019, from https://www.ncbi.nlm.nih.gov/protein/AAH68528.1
- Crawley, J. N. (2008). Galanin impairs cognitive abilities in rodents: Relevance to Alzheimer's disease. Cellular and Molecular Life Sciences : Cmls, 65(12), 1836–1841. https://doi.org/https://doi.org/10.1007/s00018-008-8158-3
- cysteinyl leukotriene receptor 2 [Homo sapiens] - Protein - NCBI. (n.d.). Retrieved November 28, 2019, from https://www.ncbi.nlm.nih.gov/protein/NP_001295400.1
- Durrant, J. D., & McCammon, J. A. (2011). Molecular dynamics simulations and drug discovery. BMC Biology, 9, 71(Issue 1, BioMed Central. https://doi.org/https://doi.org/10.1186/1741-7007-9-71
- Fagerberg, L., Hallström, B. M., Oksvold, P., Kampf, C., Djureinovic, D., Odeberg, J., Habuka, M., Tahmasebpoor, S., Danielsson, A., Edlund, K., Asplund, A., Sjöstedt, E., Lundberg, E., Szigyarto, C. A.-K., Skogs, M., Takanen, J. O., Berling, H., Tegel, H., Mulder, J., … Uhlén, M. (2014). Analysis of the human tissue-specific expression by genome-wide integration of transcriptomics and antibody-based proteomics. Mol. Cell Proteomics, 13(2), 397–406. https://doi.org/https://doi.org/10.1074/mcp.M113.035600
- Friesner, R. A., Banks, J. L., Murphy, R. B., Halgren, T. A., Klicic, J. J., Mainz, D. T., Repasky, M. P., Knoll, E. H., Shelley, M., Perry, J. K., Shaw, D. E., Francis, P., & Shenkin, P. S. (2004). Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy. Journal of Medicinal Chemistry, 47(7), 1739–1749. https://doi.org/https://doi.org/10.1021/jm0306430
- Gahete, M. D., Rubio, A., Duran-Prado, M., Avila, J., Luque, R. M., & Castano, J. P. (2010). Expression of Somatostatin, cortistatin, and their receptors, as well as dopamine receptors, but not of neprilysin, are reduced in the temporal lobe of Alzheimer's disease patients. Journal of Alzheimer's Disease : Jad, 20(2), 465–475. https://doi.org/https://doi.org/10.3233/JAD-2010-1385
- galanin receptor type 1 [Homo sapiens] - Protein - NCBI. (n.d.). Retrieved November 28, 2019, from https://www.ncbi.nlm.nih.gov/protein/NP_001471.2
- Gelosa, P., Colazzo, F., Tremoli, E., Sironi, L., & Castiglioni, L. (2017). Cysteinyl leukotrienes as potential pharmacological targets for cerebral diseases. Mediators of Inflammation, 2017, 3454212. https://doi.org/https://doi.org/10.1155/2017/3454212
- Halgren, T. A. (2009). Identifying and characterizing binding sites and assessing druggability. Journal of Chemical Information Model, 49(2), 377–389. https://doi.org/https://doi.org/10.1021/ci800324m
- Hevener, K. E., Zhao, W., Ball, D. M., Babaoglu, K., Qi, J., White, S. W., & Lee, R. E. (2009). Validation of molecular docking programs for virtual screening against dihydropteroate synthase. Journal of Chemical Information and Modeling, 49(2), 444–460. https://doi.org/https://doi.org/10.1021/ci800293n
- Hirshman, S. P., & Whitson, J. C. (1983). Steepest-descent moment method for three-dimensional magnetohydrodynamic equilibria. Physics of Fluids, 26(12), 3553–3568. https://doi.org/https://doi.org/10.1063/1.864116
- Hoffman, B. J., & Mezey, E. (1989). Distribution of serotonin 5-HT1C receptor mRNA in adult rat brain. FEBS Letters, 247(2), 453–462. https://doi.org/https://doi.org/10.1016/0014-5793(89)81390-0
- Hospital, A., Goñi, J. R., Orozco, M., & Gelpí, J. L. (2015). Molecular dynamics simulations: Advances and applications. Advances and Applications in Bioinformatics and Chemistry : Aabc, 8(1), 37–47. https://doi.org/https://doi.org/10.2147/AABC.S70333
- Hussain, T., & Lokhandwala, M. F. (1998). Renal dopamine receptor function in hypertension. Hypertension (Dallas, Tex. : 1979)), 32(2), 187–197. https://doi.org/https://doi.org/10.1161/01.hyp.32.2.187
- Ioakimidis, L., Thoukydidis, L., Mirza, A., Naeem, S., & Reynisson, J. (2008). Benchmarking the reliability of QikProp. Correlation between experimental and predicted values. QSAR & Combinatorial Science, 27(4), 445–456. https://doi.org/https://doi.org/10.1002/qsar.200730051
- Jain, A. N. (2008). Bias, reporting, and sharing: Computational evaluations of docking methods. Journal of Computer-Aided Molecular Design, 22(3-4), 201–212. https://doi.org/https://doi.org/10.1007/s10822-007-9151-x
- Jorgensen, W. L., Maxwell, D. S., & Tirado-Rives, J. (1996). Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids. Journal of the American Chemical Society, 118(45), 11225–11236. https://doi.org/https://doi.org/10.1021/ja9621760
- Koparde, A. A., Doijad, R. C., & Magdum, C. S. (2019). Natural products in drug discovery. In Pharmacognosy-Medicinal Plants. United Kingdom: IntechOpen Limited.
- Kumar, U., & Patel, S. C. (2007). Immunohistochemical localization of dopamine receptor subtypes (D1R-D5R) in Alzheimer's disease brain. Brain Research, 1131(1), 187–196. https://doi.org/https://doi.org/10.1016/j.brainres.2006.10.049
- Kurczab, R. (2017). The evaluation of QM/MM-driven molecular docking combined with MM/GBSA calculations as a halogen-bond scoring strategy. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials, 73(Pt 2), 188–194. https://doi.org/https://doi.org/10.1107/S205252061700138X
- Laskowski, R. A., MacArthur, M. W., Moss, D. S., & Thornton, J. M. (1993). PROCHECK: A program to check the stereochemical quality of protein structures. Journal of Applied Crystallography, 26(2), 283–291. https://doi.org/https://doi.org/10.1107/S0021889892009944
- Liang, Z., Liu, F., Grundke-Iqbal, I., Iqbal, K., & Gong, C.-X. (2007). Down-regulation of cAMP-dependent protein kinase by over-activated calpain in Alzheimer disease brain. Journal of Neurochemistry, 103(6), 2462–2470. https://doi.org/https://doi.org/10.1111/j.1471-4159.2007.04942.x
- Mekni, N., De Rosa, M., Cipollina, C., Gulotta, M. R., De Simone, G., Lombino, J., Padova, A., & Perricone, U. (2019). In silico insights towards the identification of NLRP3 druggable hot spots. International Journal of Molecular Sciences, 20(20), 4974. https://doi.org/https://doi.org/10.3390/ijms20204974
- Miller, B. R., Parish, C. A., & Wu, E. Y. (2014). Molecular Dynamics Study of the Opening Mechanism for DNA Polymerase I. PLoS Computational Biology, 10(12), e1003961. https://doi.org/https://doi.org/10.1371/journal.pcbi.1003961
- Polymeropoulos, M. H., Xiao, H., & Merril, C. R. (1991). The human D5 dopamine receptor (DRD5) maps on chromosome 4. Genomics, 11(3), 777–778. https://doi.org/https://doi.org/10.1016/0888-7543(91)90091-R
- Pourmousa, M., Song, H. D., He, Y., Heinecke, J. W., Segrest, J. P., & Pastor, R. W. (2018). Tertiary structure of apolipoprotein A-I in nascent high-density lipoproteins. Proceedings of the National Academy of Sciences of the United States of America, 115(20), 5163–5168. https://doi.org/https://doi.org/10.1073/pnas.1721181115
- Repasky, M. P., Shelley, M., & Friesner, R. A. (2007). Flexible ligand docking with glide. In Current Protocols in Bioinformatics (Vol. 18, Issue 1, pp. 8.12.1–8.12.36). USA: John Wiley & Sons, Inc. https://doi.org/https://doi.org/10.1002/0471250953.bi0812s18
- Sakata, K., & Overacre, A. E. (2017). Promoter IV-BDNF deficiency disturbs cholinergic gene expression of CHRNA5, CHRM2, and CHRM5: Effects of drug and environmental treatments. Journal of Neurochemistry, 143(1), 49–64. https://doi.org/https://doi.org/10.1111/jnc.14129
- Sánchez-Martín, L., Sánchez-Mateos, P., Cabañas, C., Schable, S., Topic, B., Buddenberg, T., Petri, D., Huston, J. P., de Souza Silva, M. A., Sunahara, R. K., Guan, H. C., O’Dowd, B. F., Seeman, P., Laurier, L. G., Ng, G., George, S. R., Torchia, J., Van Tol, H. H., Niznik, H. B., … Ideker, T. (2011). Cytoscape: A software environment for integrated models of biomolecular interaction networks. Alzheimer’s & Dementia : The Journal of the Alzheimer’s Association, 7(3), 263–269. https://doi.org/https://doi.org/10.7554/eLife.10421
- Sunahara, R. K., Guan, H. C., O'Dowd, B. F., Seeman, P., Laurier, L. G., Ng, G., George, S. R., Torchia, J., Van Tol, H. H., & Niznik, H. B. (1991). Cloning of the gene for a human dopamine D5 receptor with higher affinity for dopamine than D1. Nature, 350(6319), 614–619. https://doi.org/https://doi.org/10.1038/350614a0
- Tomassi, S., Montalban, F. F., Russo, R., Novellino, E., Messere, A., & Di Maro, S. (2019). Investigation of the stereochemical-dependent DNA and RNA binding of arginine-based nucleopeptides. Symmetry, 11(4), 567.https://doi.org/https://doi.org/10.3390/sym11040567
- Webb, B., & Sali, A. (2016). Comparative protein structure modeling using MODELLER. Current Protocols in Bioinformatics, 54(1), 6–37. 2016. https://doi.org/https://doi.org/10.1002/cpbi.3