Computational binding study with α7 nicotinic acetylcholine receptor of Anvylic-3288: an allosteric modulator

References

• Changeux JP, Devillers-Thiery A, Chemouilli P. Acetylcholine receptor: an allosteric protein. Science. 1984;225:1335–1345.
   PubMed Web of Science ®Google Scholar
• Le Novere N, Changeux J-P. Molecular evolution of the nicotinic acetylcholine receptor: an example of multigene family in excitable cells. J Mol Evol. 1995;40:155–172.
   PubMed Web of Science ®Google Scholar
• Karlin A. Ion channel structure: emerging structure of the nicotinic acetylcholine receptors. Nat Rev Neurosci. 2002;3:102.
   PubMed Web of Science ®Google Scholar
• Unwin N. Refined structure of the nicotinic acetylcholine receptor at 4Å resolution. J Mol Biol. 2005;346:967–989.
   PubMed Web of Science ®Google Scholar
• Lindstrom J. Autoimmune diseases involving nicotinic receptors. J Neurobiol. 2002;53:656–665.
   PubMedGoogle Scholar
• Cossins J, Webster R, Maxwell S, et al. A mouse model of AChR deficiency syndrome with a phenotype reflecting the human condition. Hum Mol Genet. 2004;13:2947–2957.
   PubMed Web of Science ®Google Scholar
• Couturier S, Bertrand D, Matter J-M, et al. A neuronal nicotinic acetylcholine receptor subunit (α7) is developmentally regulated and forms a homo-oligomeric channel blocked by α-BTX. Neuron. 1990;5:847–856.
   PubMed Web of Science ®Google Scholar
• Séguéla P, Wadiche J, Dineley-Miller K, et al. Molecular cloning, functional properties, and distribution of rat brain alpha 7: a nicotinic cation channel highly permeable to calcium. J Neurosci. 1993;13:596–604.
   PubMed Web of Science ®Google Scholar
• Gotti C, Ogando AE, Hanke W, et al. Purification and characterization of an alpha-bungarotoxin receptor that forms a functional nicotinic channel. Proc Nat Acad Sci. 1991;88:3258–3262.
   PubMed Web of Science ®Google Scholar
• Breese CR, Adams C, Logel J, et al. Comparison of the regional expression of nicotinic acetylcholine receptor α7 mRNA and [125I]-α-bungarotoxin binding in human postmortem brain. J Comp Neurol. 1997;387:385–398.
   PubMed Web of Science ®Google Scholar
• Musso F, Bettermann F, Vucurevic G, et al. Smoking impacts on prefrontal attentional network function in young adult brains. Psychopharmacology. 2007;191:159–169.
   PubMed Web of Science ®Google Scholar
• Parikh V, Ji J, Decker MW, et al. Prefrontal β2 subunit-containing and α7 nicotinic acetylcholine receptors differentially control glutamatergic and cholinergic signaling. J Neurosci. 2010;30:3518–3530.
   PubMed Web of Science ®Google Scholar
• Liao J, DeWard SJ, Madan-Khetarpal S, et al. A small homozygous microdeletion of 15q13. 3 including the CHRNA7 gene in a girl with a spectrum of severe neurodevelopmental features. Am J Med Genet Part A. 2011;155:2795–2800.
   Google Scholar
• Mikhail FM, Lose EJ, Robin NH, et al. Clinically relevant single gene or intragenic deletions encompassing critical neurodevelopmental genes in patients with developmental delay, mental retardation, and/or autism spectrum disorders. Am J Med Genet Part A. 2011;155:2386–2396.
   Google Scholar
• Yasui DH, Scoles HA, Horike S-I, et al. 15q11. 2–13.3 chromatin analysis reveals epigenetic regulation of CHRNA7 with deficiencies in Rett and autism brain. Hum Mol Genet. 2011;20:4311–4323.
   PubMed Web of Science ®Google Scholar
• Jana S, Ganeshpurkar A, Singh SK. Multiple 3D-QSAR modeling, e-pharmacophore, molecular docking, and in vitro study to explore novel AChE inhibitors. RSC Adv. 2018;8:39477–39495.
   Web of Science ®Google Scholar
• Ganeshpurkar A, Swetha R, Kumar D, et al. Protein-protein interactions and aggregation inhibitors in Alzheimer’s disease. Curr Top Med Chem. 2019;19:501–533.
   PubMed Web of Science ®Google Scholar
• West M, Söderman A, Mikkelsen JD, et al. Activation of nicotinic alpha 7 acetylcholine receptor enhances long-term potentiation in wild-type mice, but not APPswe/PS1deltaE9 mice. Alzheimer's Dement J Alzheimer's Assoc. 2010;6:S400.
   Google Scholar
• Thomsen MS, Hansen HH, Timmerman MB, et al. Cognitive improvement by activation of α7 nicotinic acetylcholine receptors: from animal models to human pathophysiology. Curr Pharm Des. 2010;16:323–343.
   PubMed Web of Science ®Google Scholar
• Kumar D, Ganeshpurkar A, Kumar D, et al. Secretase inhibitors for the treatment of Alzheimer's disease: long road ahead. Eur J Med Chem. 2018;148:436–452.
   PubMed Web of Science ®Google Scholar
• Wang H-Y, Li W, Benedetti NJ, et al. Α7 nicotinic acetylcholine receptors mediate β-amyloid peptide-induced tau protein phosphorylation. J Biol Chem. 2003;278:31547–31553.
   PubMed Web of Science ®Google Scholar
• Freedman R, Hall M, Adler LE, et al. Evidence in postmortem brain tissue for decreased numbers of hippocampal nicotinic receptors in schizophrenia. Biol Psychiatry. 1995;38:22–33.
   PubMed Web of Science ®Google Scholar
• Freedman R, Adler LE, Myles-Worsley M, et al. Inhibitory gating of an evoked response to repeated auditory stimuli in schizophrenic and normal subjects: human recordings, computer simulation, and an animal model. Arch Gen Psychiatry. 1996;53:1114–1121.
   PubMed Web of Science ®Google Scholar
• Stephens SH, Franks A, Berger R, et al. Multiple genes in the 15q13-q14 chromosomal region are associated with schizophrenia. Psychiatr Genet. 2012;22(1):1–14.
   PubMed Web of Science ®Google Scholar
• Stephens SH, Logel J, Barton A, et al. Association of the 5′-upstream regulatory region of the α7 nicotinic acetylcholine receptor subunit gene (CHRNA7) with schizophrenia. Schizophr Res. 2009;109:102–112.
   PubMed Web of Science ®Google Scholar
• Carson R, Craig D, McGuinness B, et al. Α7 nicotinic acetylcholine receptor gene and reduced risk of Alzheimer’s disease. J Med Genet. 2008;45:244–248.
   PubMed Web of Science ®Google Scholar
• Faghih R, Gopalakrishnan M, Briggs CA. Allosteric modulators of the α7 nicotinic acetylcholine receptor. J Med Chem. 2008;51:701–712.
   PubMed Web of Science ®Google Scholar
• Bertrand D, Gopalakrishnan M. Allosteric modulation of nicotinic acetylcholine receptors. Biochem Pharmacol. 2007;74:1155–1163.
   PubMed Web of Science ®Google Scholar
• Ng HJ, Whittemore ER, Tran MB, et al. Nootropic α7 nicotinic receptor allosteric modulator derived from GABAA receptor modulators. Proc Nat Acad Sci. 2007;104:8059–8064.
   PubMed Web of Science ®Google Scholar
• Thomsen MS, El-Sayed M, Mikkelsen JD. Differential immediate and sustained memory enhancing effects of Alpha7 nicotinic receptor agonists and allosteric modulators in rats. PLoS One. 2011;6:e27014.
   PubMed Web of Science ®Google Scholar
• Gee KW, Olincy A, Kanner R, et al. First in human trial of a type I positive allosteric modulator of alpha7-nicotinic acetylcholine receptors: pharmacokinetics, safety, and evidence for neurocognitive effect of AVL-3288. J Psychopharmacol. 2017;31:434–441.
   PubMed Web of Science ®Google Scholar
• Li S-X, Huang S, Bren N, et al. Ligand-binding domain of an α 7-nicotinic receptor chimera and its complex with agonist. Nat Neurosci. 2011;14:1253.
   PubMed Web of Science ®Google Scholar
• Ganeshpurkar A, Kumar D, Singh SK. Design, synthesis and collagenase inhibitory activity of some novel phenylglycine derivatives as metalloproteinase inhibitors. Int J Biol Macromol. 2018;107:1491–1500.
   PubMed Web of Science ®Google Scholar
• Umre R, Ganeshpurkar A, Ganeshpurkar A, et al. In vitro, in vivo and in silico antiulcer activity of ferulic acid. Fut J Pharm Sci. 2018;4:248–253.
   Web of Science ®Google Scholar
• Singh R, Ganeshpurkar A, Kumar D, et al. Identifying potential GluN2B subunit containing N-methyl-d-aspartate receptor inhibitors: an integrative in silico and molecular modeling approach. J Biomol Struct Dyn. 2019;38(9):1–17.
   PubMed Web of Science ®Google Scholar
• Ganeshpurkar A, Singh R, Gore PG, et al. Structure-based screening and molecular dynamics simulation studies for the identification of potential acetylcholinesterase inhibitors. Mol Simul. 2019;46(3):1–17.
   Web of Science ®Google Scholar
• Huang X, Shaffer PL, Ayube S, et al. Crystal structures of human glycine receptor α3 bound to a novel class of analgesic potentiators. Nat Struct Mol Biol. 2017;24:108.
   PubMed Web of Science ®Google Scholar
• Fourati Z, Sauguet L, Delarue M. Genuine open form of the pentameric ligand-gated ion channel GLIC. Acta Crystallogr D Biol Crystallogr. 2015;71:454–460.
   PubMedGoogle Scholar
• Spurny R, Debaveye S, Farinha A, et al. Molecular blueprint of allosteric binding sites in a homologue of the agonist-binding domain of the α7 nicotinic acetylcholine receptor. Proc Nat Acad Sci. 2015;112:E2543–E2E52.
   PubMed Web of Science ®Google Scholar