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Volumn 12, Issue 6, 2012, Pages 467-476

Evaluation of the pharmacological descriptors related to the induction of antidepressant activity and its prediction by QSAR/QRAR methods

Author keywords

Antidepressants; Drug design; Membrane receptors; Pharmaceutical descriptors; QRAR; QSAR

Indexed keywords

ADRENALIN; AMFEBUTAMONE; AMITRIPTYLINE; DESVENLAFAXINE; DOPAMINE; DOXEPIN; DULOXETINE; ESCITALOPRAM; FLUOXETINE; FLUVOXAMINE; IMIPRAMINE; MIRTAZAPINE; MOCLOBEMIDE; NEFAZODONE; NORTRIPTYLINE; PAROXETINE; PHENELZINE; PROTRIPTYLINE; SEROTONIN; SEROTONIN 1A AGONIST; SEROTONIN 1B AGONIST; SERTRALINE; TRANYLCYPROMINE; TRAZODONE; VENLAFAXINE;

EID: 84861143815     PISSN: 13895575     EISSN: 18755607     Source Type: Journal    
DOI: 10.2174/138955712800493834     Document Type: Article
Times cited : (17)

References (85)
  • 1
    • 38049081662 scopus 로고    scopus 로고
    • Mechanisms of disease: Major depressive disorder
    • Belmaker, R.H.; Agam G. Mechanisms of disease: Major depressive disorder. N Engl J Med., 2008, 358, 55-68.
    • (2008) N Engl J Med. , vol.358 , pp. 55-68
    • Belmaker, R.H.1    Agam, G.2
  • 3
    • 0033135307 scopus 로고    scopus 로고
    • Drug treatment of depression
    • Spigset, O.; Mårtensson B. Drug treatment of depression. BMJ., 1999, 318, 1188-1191.
    • (1999) BMJ. , vol.318 , pp. 1188-1191
    • Spigset, O.1    Mårtensson, B.2
  • 4
    • 0033810465 scopus 로고    scopus 로고
    • Genetic epidemiology of major depression: Review and meta-analysis
    • Sullivan, P.F.; Neale, M.C.; Kendler, K.S. Genetic epidemiology of major depression: review and meta-analysis. Am J Psychiatry, 2000, 157, 1552-1562.
    • (2000) Am J Psychiatry , vol.157 , pp. 1552-1562
    • Sullivan, P.F.1    Neale, M.C.2    Kendler, K.S.3
  • 5
    • 27244437919 scopus 로고    scopus 로고
    • The medical management of depression
    • Mann, J.J. The medical management of depression. N Engl J Med., 2005, 353, 1819-1834.
    • (2005) N Engl J Med. , vol.353 , pp. 1819-1834
    • Mann, J.J.1
  • 7
    • 0036174871 scopus 로고    scopus 로고
    • Depression and heart disease: Evidence of a link, and its therapeutic implications
    • Jiang, W.; Krishnan, R.R.; O'Connor, C.M. Depression and heart disease: evidence of a link, and its therapeutic implications. CNS Drugs, 2002, 16, 111-127.
    • (2002) CNS Drugs , vol.16 , pp. 111-127
    • Jiang, W.1    Krishnan, R.R.2    O'Connor, C.M.3
  • 8
    • 77958500023 scopus 로고    scopus 로고
    • Pathophysiological basis of cardiovascular disease and depression: A chicken-and-egg dilemma
    • Paz-Filho, G., Licinio, J., Wong, M.L. Pathophysiological basis of cardiovascular disease and depression: a chicken-and-egg dilemma. Revista Brasileira de Psiquiatria, 2010, 32, 181-191.
    • (2010) Revista Brasileira de Psiquiatria , vol.32 , pp. 181-191
    • Paz-Filho, G.1    Licinio, J.2    Wong, M.L.3
  • 9
    • 77955560638 scopus 로고    scopus 로고
    • Classification of antidepressants and their clinical implications. Primary Care Companion
    • Shelton, R.C. Classification of antidepressants and their clinical implications. Primary Care Companion J Clin Psychiatry, 2003, 5[suppl 7], 27-32.
    • (2003) J Clin Psychiatry , vol.5 , Issue.SUPPL. 7 , pp. 27-32
    • Shelton, R.C.1
  • 12
    • 0034872117 scopus 로고    scopus 로고
    • 'New' and 'old' antidepressants: All equal in the eyes of the lore?
    • Parker, G. 'New' and 'old' antidepressants: all equal in the eyes of the lore? British Journal of Psychiatry, 2001, 179, 95-96.
    • (2001) British Journal of Psychiatry , vol.179 , pp. 95-96
    • Parker, G.1
  • 13
    • 0034595401 scopus 로고    scopus 로고
    • A systematic review of newer pharmacotherapies for depression in adults: Evidence report summary. Clinical Guideline, Part 2
    • Williams, J.W.; Mulrow, C.D.; Chiquette, E.; Noël, P.; Aguilar, C.; Cornell, J. A systematic review of newer pharmacotherapies for depression in adults: evidence report summary. Clinical Guideline, Part 2. Ann Intern Med, 2000, 132(9), 743-756.
    • (2000) Ann Intern Med , vol.132 , Issue.9 , pp. 743-756
    • Williams, J.W.1    Mulrow, C.D.2    Chiquette, E.3    Noël, P.4    Aguilar, C.5    Cornell, J.6
  • 14
    • 27244440335 scopus 로고    scopus 로고
    • Efficacy and tolerability of tricyclic antidepressants and SSRIs compared with placebo for treatment of depression in primary care: A meta-analysis
    • Arroll, B.; Macgillivray, S.; Ogston, S.; Reid, I.; Sullivan, F.; Williams, B.; Crombie, I. Efficacy and tolerability of tricyclic antidepressants and SSRIs compared with placebo for treatment of depression in primary care: a meta-analysis. Ann Fam Med, 2005, 3, 449-456.
    • (2005) Ann Fam Med , vol.3 , pp. 449-456
    • Arroll, B.1    McGillivray, S.2    Ogston, S.3    Reid, I.4    Sullivan, F.5    Williams, B.6    Crombie, I.7
  • 15
    • 0034951724 scopus 로고    scopus 로고
    • Meta-analytical studies on new antidepressants
    • Anderson, I.M. Meta-analytical studies on new antidepressants. British Medical Bulletin, 2001, 57, 161-178.
    • (2001) British Medical Bulletin , vol.57 , pp. 161-178
    • Anderson, I.M.1
  • 17
    • 56549100425 scopus 로고    scopus 로고
    • Using second-generation antidepressants to treat depressive disorders: A clinical practice guideline from the American College of Physicians
    • Quaseem, A.; Snow, V.; Denberg, T.D.; Forciea, M.A.; Owens, D.K. Using second-generation antidepressants to treat depressive disorders: a clinical practice guideline from the American College of Physicians. Ann Intern Med., 2008, 149(10), 725-733.
    • (2008) Ann Intern Med. , vol.149 , Issue.10 , pp. 725-733
    • Quaseem, A.1    Snow, V.2    Denberg, T.D.3    Forciea, M.A.4    Owens, D.K.5
  • 19
    • 77955302933 scopus 로고    scopus 로고
    • Depression, antidepressant use and mortality in later life: The Health in Men Study
    • Almeida, O.P.; Alfonso, H.; Hankey, G.J.; Flicker, L. Depression, antidepressant use and mortality in later life: The Health in Men Study. PLoS ONE, 2010, 5(6), e11266.
    • (2010) PLoS ONE , vol.5 , Issue.6
    • Almeida, O.P.1    Alfonso, H.2    Hankey, G.J.3    Flicker, L.4
  • 20
    • 77954275627 scopus 로고    scopus 로고
    • Efficacy and effectiveness of antidepressants: Current status of research
    • Pigott, H.E.; Leventhal, A.M.; Alter, G.S.; Boren, J.J. Efficacy and effectiveness of antidepressants: current status of research. Psychother Psychosom., 2010, 79, 267-279.
    • (2010) Psychother Psychosom. , vol.79 , pp. 267-279
    • Pigott, H.E.1    Leventhal, A.M.2    Alter, G.S.3    Boren, J.J.4
  • 24
    • 0030948120 scopus 로고    scopus 로고
    • GRID/GOLPE 3D quantitative structure-activity relationship study on a set of benzamides and naphthamides, with affinity for the dopamine D3 receptor subtype
    • Nilsson, J.; Wikstrom, H.; Smilde, A.; Glase, S.; Pugsley, T.; Cruciani, G.; Pastor, M.; Clementi, S. GRID/GOLPE 3D quantitative structure-activity relationship study on a set of benzamides and naphthamides, with affinity for the dopamine D3 receptor subtype. J. Med. Chem., 1997, 40, 833-840.
    • (1997) J. Med. Chem. , vol.40 , pp. 833-840
    • Nilsson, J.1    Wikstrom, H.2    Smilde, A.3    Glase, S.4    Pugsley, T.5    Cruciani, G.6    Pastor, M.7    Clementi, S.8
  • 25
    • 0037409340 scopus 로고    scopus 로고
    • Alpha(1) adrenoceptor subtype selectivity. 3D-QSAR models for a new class of alpha(1) adrenoceptor antagonists derived from the novel antipsychotic sertindole
    • Balle, T.; Andersen, K.; Soby, K. K.; Liljefors, T. Alpha(1) adrenoceptor subtype selectivity. 3D-QSAR models for a new class of alpha(1) adrenoceptor antagonists derived from the novel antipsychotic sertindole. J. Mol. Graph. Model., 2003, 21, 523-534.
    • (2003) J. Mol. Graph. Model. , vol.21 , pp. 523-534
    • Balle, T.1    Andersen, K.2    Soby, K.K.3    Liljefors, T.4
  • 26
    • 0035848568 scopus 로고    scopus 로고
    • Comparative molecular field analysis of dopamine D4 receptor antagonists including 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo-[2,3-b]pyridine (L-745,870), and clozapine
    • Lanig, H.; Utz, W.; Gmeiner, P. Comparative molecular field analysis of dopamine D4 receptor antagonists including 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo-[2,3-b]pyridine (L-745,870), and clozapine. J. Med. Chem., 2001, 44, 1151-1157.
    • (2001) J. Med. Chem. , vol.44 , pp. 1151-1157
    • Lanig, H.1    Utz, W.2    Gmeiner, P.3
  • 29
    • 2542542158 scopus 로고    scopus 로고
    • New series of morpholine and 1,4-oxazepane derivatives as dopamine D4 receptor ligands: Synthesis and 3D-QSAR model
    • Audouze, K.; Nielsen, E. O.; Peters, D. New series of morpholine and 1,4-oxazepane derivatives as dopamine D4 receptor ligands: synthesis and 3D-QSAR model. J. Med. Chem., 2004, 47, 3089-3104.
    • (2004) J. Med. Chem. , vol.47 , pp. 3089-3104
    • Audouze, K.1    Nielsen, E.O.2    Peters, D.3
  • 30
    • 0034957609 scopus 로고    scopus 로고
    • Molecular field analysis of clozapine analogs in the development of a pharmacophore model of antipsychotic drug action
    • Tehan, B. G.; Lloyd, E. J.; Wong, M. G. Molecular field analysis of clozapine analogs in the development of a pharmacophore model of antipsychotic drug action. J. Mol. Graph. Model., 2001, 19, 417-426.
    • (2001) J. Mol. Graph. Model. , vol.19 , pp. 417-426
    • Tehan, B.G.1    Lloyd, E.J.2    Wong, M.G.3
  • 31
    • 0033614954 scopus 로고    scopus 로고
    • Conformationally constrained butyrophenones with mixed dopaminergic (D(2) and serotoninergic (5-HT(2A), 5-HT(2C) affinities: Synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo-and-thienocycloalkanones as putative atypical antipsychotics
    • Ravina, E.; Negreira, J.; Cid, J.; Masaguer, C. P.; Rosa, E.; Rivas, M. E.; Fontenla, J. A.; Loza, M. I.; Tristan, H.; Cadavid, M. I.; Sanz, F.; Lozoya, E.; Carotti, A.; Carrieri, A. Conformationally constrained butyrophenones with mixed dopaminergic (D(2) and serotoninergic (5-HT(2A), 5-HT(2C) affinities: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo-and-thienocycloalkanones as putative atypical antipsychotics. J. Med. Chem., 1999, 42, 2774-2797.
    • (1999) J. Med. Chem. , vol.42 , pp. 2774-2797
    • Ravina, E.1    Negreira, J.2    Cid, J.3    Masaguer, C.P.4    Rosa, E.5    Rivas, M.E.6    Fontenla, J.A.7    Loza, M.I.8    Tristan, H.9    Cadavid, M.I.10    Sanz, F.11    Lozoya, E.12    Carotti, A.13    Carrieri, A.14
  • 32
    • 77956386782 scopus 로고    scopus 로고
    • Antidepressants: Clinically Relevant Drug Interactions to Be Considered
    • Schellander, R.; Donnerer, J. Antidepressants: Clinically Relevant Drug Interactions to Be Considered. Pharmacology. 2010, 86(4), 203-215.
    • (2010) Pharmacology. , vol.86 , Issue.4 , pp. 203-215
    • Schellander, R.1    Donnerer, J.2
  • 34
    • 77956473419 scopus 로고    scopus 로고
    • Adjunctive psychotropic medications during electroconvulsive therapy in the treatment of depression, mania, and schizophrenia
    • Haskett, R.F.; Loo, C. Adjunctive psychotropic medications during electroconvulsive therapy in the treatment of depression, mania, and schizophrenia. J ECT., 2010, 26(3), 196-201.
    • (2010) J ECT. , vol.26 , Issue.3 , pp. 196-201
    • Haskett, R.F.1    Loo, C.2
  • 35
    • 78149284728 scopus 로고    scopus 로고
    • Role of serotonin transporter inhibition in the regulation of tryptophan hydroxylase in brainstem raphe nuclei: Time course and regional specificity
    • Macgillivray, L.; Lagrou, L.M.; Reynolds, K.B.; Rosebush, P.I.; Mazurek, M.F. Role of serotonin transporter inhibition in the regulation of tryptophan hydroxylase in brainstem raphe nuclei: time course and regional specificity. Neuroscience, 2010, 171(2), 407-420.
    • (2010) Neuroscience , vol.171 , Issue.2 , pp. 407-420
    • McGillivray, L.1    Lagrou, L.M.2    Reynolds, K.B.3    Rosebush, P.I.4    Mazurek, M.F.5
  • 36
    • 78149252206 scopus 로고    scopus 로고
    • Development, Validation, and Use of Quantitative Structure-Activity Relationship Models of 5-Hydroxytryptamine (2B) Receptor Ligands to Identify Novel Receptor Binders and Putative Valvulopathic Compounds among Common Drugs
    • Hajjo, R.; Grulke, C.M.; Golbraikh, A.; Setola, V.; Huang, X.P.; Roth, B.L.; Tropsha, A. Development, Validation, and Use of Quantitative Structure-Activity Relationship Models of 5-Hydroxytryptamine (2B) Receptor Ligands to Identify Novel Receptor Binders and Putative Valvulopathic Compounds among Common Drugs. J Med Chem., 2010, 53(21), 7573-7586.
    • (2010) J Med Chem. , vol.53 , Issue.21 , pp. 7573-7586
    • Hajjo, R.1    Grulke, C.M.2    Golbraikh, A.3    Setola, V.4    Huang, X.P.5    Roth, B.L.6    Tropsha, A.7
  • 38
    • 77950461375 scopus 로고    scopus 로고
    • Evidence for the involvement of the noradrenergic system, dopaminergic and imidazoline receptors in the antidepressant-like effect of tramadol in mice
    • Jesse, C.R.; Wilhelm, E.A.; Bortolatto, C.F.; Nogueira, C.W. Evidence for the involvement of the noradrenergic system, dopaminergic and imidazoline receptors in the antidepressant-like effect of tramadol in mice. Pharmacol Biochem Behav., 2010, 95(3), 344-350.
    • (2010) Pharmacol Biochem Behav. , vol.95 , Issue.3 , pp. 344-350
    • Jesse, C.R.1    Wilhelm, E.A.2    Bortolatto, C.F.3    Nogueira, C.W.4
  • 39
    • 70149083277 scopus 로고    scopus 로고
    • Enhancement of the function of rat serotonin and norepinephrine neurons by sustained vagus nerve stimulation
    • Manta, S.; Dong, J.; Debonnel, G.; Blier, P. Enhancement of the function of rat serotonin and norepinephrine neurons by sustained vagus nerve stimulation. J Psychiatry Neurosci., 2009, 34(4), 272-280.
    • (2009) J Psychiatry Neurosci. , vol.34 , Issue.4 , pp. 272-280
    • Manta, S.1    Dong, J.2    Debonnel, G.3    Blier, P.4
  • 41
    • 77955101547 scopus 로고    scopus 로고
    • Synthesis, 3DQSAR, and structural modeling of benzolactam derivatives with binding affinity for the D(2) and D(3) receptors
    • López, L.; Selent, J.; Ortega, R.; Masaguer, C.F.; Domínguez, E.; Areias, F.; Brea, J.; Loza, M.I.; Sanz, F.; Pastor, M. Synthesis, 3DQSAR, and structural modeling of benzolactam derivatives with binding affinity for the D(2) and D(3) receptors. Med Chem., 2010, 5(8), 1300-1317.
    • (2010) Med Chem. , vol.5 , Issue.8 , pp. 1300-1317
    • López, L.1    Selent, J.2    Ortega, R.3    Masaguer, C.F.4    Domínguez, E.5    Areias, F.6    Brea, J.7    Loza, M.I.8    Sanz, F.9    Pastor, M.10
  • 42
    • 41149156578 scopus 로고    scopus 로고
    • Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening
    • de Graaf, C.; Foata, N.; Engkvist, O.; Rognan, D. Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening. Proteins, 2008, 71(2), 599-620.
    • (2008) Proteins , vol.71 , Issue.2 , pp. 599-620
    • de Graaf, C.1    Foata, N.2    Engkvist, O.3    Rognan, D.4
  • 44
    • 51949102003 scopus 로고    scopus 로고
    • Three-Dimensional Quantitative Structure-Activity Relationships for a Large Series of Potent Antitubercular Agents
    • Andrade, C.H.; Salum, L.B.; Pasqualoto, K.F.M.; Ferreir, E.I.; Andricopulo, A.D. Three-Dimensional Quantitative Structure-Activity Relationships for a Large Series of Potent Antitubercular Agents. Lett. Drug Des. Discov., 2008, 5, 377-387.
    • (2008) Lett. Drug Des. Discov. , vol.5 , pp. 377-387
    • Andrade, C.H.1    Salum, L.B.2    Pasqualoto, K.F.M.3    Ferreir, E.I.4    Andricopulo, A.D.5
  • 45
    • 1442293369 scopus 로고    scopus 로고
    • Current state and perspectives of 3D-QSAR
    • Akamatsu, M. Current state and perspectives of 3D-QSAR. Curr. Top. Med. Chem., 2002, 2, 1381-1394.
    • (2002) Curr. Top. Med. Chem. , vol.2 , pp. 1381-1394
    • Akamatsu, M.1
  • 47
    • 77949442697 scopus 로고    scopus 로고
    • KiDoQ: Using docking based energy scores to develop ligand based model for predicting antibacterials
    • Garg, A.; Tewari, R.; Raghava, G.P. KiDoQ: using docking based energy scores to develop ligand based model for predicting antibacterials. BMC Bioinformatics, 2010, 11, 125.
    • (2010) BMC Bioinformatics , vol.11 , pp. 125
    • Garg, A.1    Tewari, R.2    Raghava, G.P.3
  • 50
    • 0347694970 scopus 로고    scopus 로고
    • Determination of the active site protonation state of beta-secretase from molecular dynamics simulation and docking experiment: Implications for structure-based inhibitor design
    • Park, H.; Lee, S. Determination of the active site protonation state of beta-secretase from molecular dynamics simulation and docking experiment: implications for structure-based inhibitor design. J. Am. Chem. Soc., 2003, 125, 16416-16422.
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 16416-16422
    • Park, H.1    Lee, S.2
  • 53
    • 17044393134 scopus 로고    scopus 로고
    • Toward a greater appreciation of noncovalent chemical/DNA interactions: Application of biological and computational approaches
    • Snyder, R.D.; Hendry, L.B. Toward a greater appreciation of noncovalent chemical/DNA interactions: application of biological and computational approaches. Environ. Mol. Mutagen., 2005, 45, 100-105.
    • (2005) Environ. Mol. Mutagen. , vol.45 , pp. 100-105
    • Snyder, R.D.1    Hendry, L.B.2
  • 54
    • 13844312018 scopus 로고    scopus 로고
    • Molecular docking and 3D-QSAR studies on the binding mechanism of statine-based peptidomimetics with beta-secretase
    • Zuo, Z.; Luo, X.; Zhu, W.; Shen, J.; Shen, X.; Jiang, H.; Chen, K. Molecular docking and 3D-QSAR studies on the binding mechanism of statine-based peptidomimetics with beta-secretase. Bioorg. Med. Chem., 2005, 13, 2121-2131.
    • (2005) Bioorg. Med. Chem. , vol.13 , pp. 2121-2131
    • Zuo, Z.1    Luo, X.2    Zhu, W.3    Shen, J.4    Shen, X.5    Jiang, H.6    Chen, K.7
  • 56
    • 0028237444 scopus 로고
    • Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes
    • Oprea, T.I.; Waller, C.L.; Marshall, G.R. Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes. J. Med. Chem., 1994, 37, 2206-2215.
    • (1994) J. Med. Chem. , vol.37 , pp. 2206-2215
    • Oprea, T.I.1    Waller, C.L.2    Marshall, G.R.3
  • 57
    • 84873073078 scopus 로고    scopus 로고
    • (Accessed November 13, 2010)
    • Chemical Computing Group. http://www.chemcomp.com (Accessed November 13, 2010).
    • Chemical Computing Group
  • 60
    • 43349090657 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship studies on membrane receptors inhibition by antipsychotic drugs
    • Avram, S.; Berner, H.; Milac, A.L.; Wolschann, P. Quantitative structure-activity relationship studies on membrane receptors inhibition by antipsychotic drugs. Application to new schizophrenia. Chemical Monthly, 2008, 139, 407.
    • (2008) Application to new schizophrenia. Chemical Monthly , vol.139 , pp. 407
    • Avram, S.1    Berner, H.2    Milac, A.L.3    Wolschann, P.4
  • 61
    • 19644396888 scopus 로고    scopus 로고
    • Linear and nonlinear methods in modeling the aqueous solubility of organic compounds
    • Catana, C.; Gao, H.; Orrenius, C.; Stouten P.F.W. Linear and nonlinear methods in modeling the aqueous solubility of organic compounds. J. Chem. Inf. Model., 2005, 45, 170-176.
    • (2005) J. Chem. Inf. Model. , vol.45 , pp. 170-176
    • Catana, C.1    Gao, H.2    Orrenius, C.3    Stouten, P.F.W.4
  • 62
    • 0000120617 scopus 로고    scopus 로고
    • Intermolecular accessibility: The meaning of molecular connectivity
    • Kier, L.B.; Hall, L.H. Intermolecular accessibility: the meaning of molecular connectivity. J. Chem. Inf. Comput. Sci., 2000, 40, 792-795.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 792-795
    • Kier, L.B.1    Hall, L.H.2
  • 63
    • 0023212750 scopus 로고
    • Inclusion of symmetry as a shape attribute in kappaindex analysis
    • Kier, L.B. Inclusion of symmetry as a shape attribute in kappaindex analysis. Quant. Struct-Act. Relat., 1987, 6, 8-12.
    • (1987) Quant. Struct-Act. Relat. , vol.6 , pp. 8-12
    • Kier, L.B.1
  • 64
    • 0000697995 scopus 로고
    • Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds
    • Petitjean, M. Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds. J. Chem. Inf. Comput. Sci., 1992, 32, 331-337
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , pp. 331-337
    • Petitjean, M.1
  • 65
    • 49149147973 scopus 로고
    • Iterative partial equalization of orbital electronegativity-a rapid access to atomic charges
    • Gasteiger, J.; Marsili, M. Iterative partial equalization of orbital electronegativity-a rapid access to atomic charges. Tetrahedron, 1980, 36, 3219-3228.
    • (1980) Tetrahedron , vol.36 , pp. 3219-3228
    • Gasteiger, J.1    Marsili, M.2
  • 66
    • 10344253046 scopus 로고
    • Development and use of the charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies
    • Stanton, D.; Jurs, P. Development and use of the charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies. Anal. Chem., 1990, 62, 2323-2329.
    • (1990) Anal. Chem. , vol.62 , pp. 2323-2329
    • Stanton, D.1    Jurs, P.2
  • 67
    • 0024491426 scopus 로고
    • Recent advances in comparative molecular field analysis (CoMFA)
    • Cramer, R.D. 3rd; Patterson, D.E.; Bunce, J.D. Recent advances in comparative molecular field analysis (CoMFA). Prog. Clin. Biol. Res., 1989, 291, 161-165.
    • (1989) Prog. Clin. Biol. Res. , vol.291 , pp. 161-165
    • Cramer III, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 68
    • 34548147317 scopus 로고    scopus 로고
    • CoMFA study of distamycin analogs binding to the minor-groove of DNA: A unified model for broad-spectrum activity
    • Khedkar, S.A.; Malde, A.K.; Coutinho, E.C. CoMFA study of distamycin analogs binding to the minor-groove of DNA: a unified model for broad-spectrum activity. J Mol Model., 2007, 13(10), 1099-1108.
    • (2007) J Mol Model. , vol.13 , Issue.10 , pp. 1099-1108
    • Khedkar, S.A.1    Malde, A.K.2    Coutinho, E.C.3
  • 69
    • 0027944195 scopus 로고
    • Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
    • Klebe, G.; Abraham, U.; Mietzner, T. Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity. J. Med. Chem., 1994, 37, 4130-4146.
    • (1994) J. Med. Chem. , vol.37 , pp. 4130-4146
    • Klebe, G.1    Abraham, U.2    Mietzner, T.3
  • 71
    • 0034861906 scopus 로고    scopus 로고
    • Prediction of Intestinal Absorption and Blood-Brain Barrier Penetration by Computational Methods
    • Clark, D.E. Prediction of Intestinal Absorption and Blood-Brain Barrier Penetration by Computational Methods. Comb. Chem. High Throughput Screen, 2001, 4, 477-496.
    • (2001) Comb. Chem. High Throughput Screen , vol.4 , pp. 477-496
    • Clark, D.E.1
  • 72
    • 0242578788 scopus 로고    scopus 로고
    • Development of predictive retentionactivity relationship models of tricyclic antidepressants by micellar liquid chromatography
    • Quiñones-Torrelo, C.; Sagrado, S.; Villanueva-Camañas, R.M.; Medina-Hernández, M.J. Development of predictive retentionactivity relationship models of tricyclic antidepressants by micellar liquid chromatography, J Med Chem., 1999, 42(16), 3154-3162.
    • (1999) J Med Chem. , vol.42 , Issue.16 , pp. 3154-3162
    • Quiñones-Torrelo, C.1    Sagrado, S.2    Villanueva-Camañas, R.M.3    Medina-Hernández, M.J.4
  • 73
    • 37749032176 scopus 로고    scopus 로고
    • Development of predictive quantitative retention-activity relationship models of HMG-CoA reductase inhibitors by biopartitioning micellar chromatography
    • Wang, S.R.; Chen, Y.; Wu, L.P.; Miao, W.J.; Xiong, M.J.; Chen, C.; Zhong, Z.R.; Ye, L.M. Development of predictive quantitative retention-activity relationship models of HMG-CoA reductase inhibitors by biopartitioning micellar chromatography, J Pharm Biomed Anal., 2008, 46(2), 243-249.
    • (2008) J Pharm Biomed Anal. , vol.46 , Issue.2 , pp. 243-249
    • Wang, S.R.1    Chen, Y.2    Wu, L.P.3    Miao, W.J.4    Xiong, M.J.5    Chen, C.6    Zhong, Z.R.7    Ye, L.M.8
  • 74
    • 75849131116 scopus 로고    scopus 로고
    • Quantitative retention-activity relationship models of angiotensin converting enzyme inhibitors using biopartitioning micellar chromatography
    • Wang, S.R.; Chen, Y.; Xiong, M.J.; Wu, L.P.; Ye, L.M. Quantitative retention-activity relationship models of angiotensin converting enzyme inhibitors using biopartitioning micellar chromatography, J Chromatogr Sci.,2010, 48(2), 134-139.
    • (2010) J Chromatogr Sci. , vol.48 , Issue.2 , pp. 134-139
    • Wang, S.R.1    Chen, Y.2    Xiong, M.J.3    Wu, L.P.4    Ye, L.M.5
  • 76
    • 0033013540 scopus 로고    scopus 로고
    • Drug liposome partitioning as a tool for the prediction of human passive intestinal absorption
    • Balon, K.; Riebesehl, B.U., Muller, B.W. Drug liposome partitioning as a tool for the prediction of human passive intestinal absorption. Pharm. Res., 1999, 16, 882-888.
    • (1999) Pharm. Res. , vol.16 , pp. 882-888
    • Balon, K.1    Riebesehl, B.U.2    Muller, B.W.3
  • 77
    • 0030786209 scopus 로고    scopus 로고
    • Chromatography on Cells and Biomolecular Assemblies
    • Lundqvist, A.; Lundahl, P. Chromatography on Cells and Biomolecular Assemblies. J. Chromatogr. B 1997, 699, 209-220.
    • (1997) J. Chromatogr B , vol.699 , pp. 209-220
    • Lundqvist, A.1    Lundahl, P.2
  • 78
    • 0022734653 scopus 로고
    • Micellar Liquid Chromatography, Adsorption Isotherms of Two Ioninc Surfactants on Five Stationary Phases
    • Berthod, A.; Girard, I.; Gomet, C. Micellar Liquid Chromatography. Adsorption Isotherms of Two Ioninc Surfactants on Five Stationary Phases. Anal. Chem., 1986, 58, 1356-1358.
    • (1986) Anal. Chem. , vol.58 , pp. 1356-1358
    • Berthod, A.1    Girard, I.2    Gomet, C.3
  • 79
    • 77954654795 scopus 로고    scopus 로고
    • Design of new escitalopram derivatives for the treatment of major depressive disorder by 3D-QSAR
    • Avram, S.; Buiu, C.; Duda-Seiman, D.M.; Duda-Seiman, C.; Mihailescu, D. Design of new escitalopram derivatives for the treatment of major depressive disorder by 3D-QSAR, Sci Pharm., 2010, 78, 233-248.
    • (2010) Sci Pharm. , vol.78 , pp. 233-248
    • Avram, S.1    Buiu, C.2    Duda-Seiman, D.M.3    Duda-Seiman, C.4    Mihailescu, D.5
  • 80
    • 70349761363 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship analysis of aryl alkanol piperazine derivatives with antidepressant activities
    • Chen, K.X.; Li, Z.G.; Xie, H.Y.; Gao, J.R.; Zou, J.W. Quantitative structure-activity relationship analysis of aryl alkanol piperazine derivatives with antidepressant activities. Eur J Med Chem., 2009, 44(11), 4367-4375.
    • (2009) Eur J Med Chem. , vol.44 , Issue.11 , pp. 4367-4375
    • Chen, K.X.1    Li, Z.G.2    Xie, H.Y.3    Gao, J.R.4    Zou, J.W.5
  • 81
    • 77955432319 scopus 로고    scopus 로고
    • Synthesis, antidepressant evaluation and QSAR studies of novel 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-N-(substituted phenyl)acetamides
    • Shelke, S. M; Bhosale, S.H. Synthesis, antidepressant evaluation and QSAR studies of novel 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-N-(substituted phenyl)acetamides. Bioorganic & Medicinal Chemistry Letters, 2010, 20(15), 4661-4664.
    • (2010) Bioorganic & Medicinal Chemistry Letters , vol.20 , Issue.15 , pp. 4661-4664
    • Shelke, S.M.1    Bhosale, S.H.2
  • 82
    • 50049107323 scopus 로고    scopus 로고
    • Two-dimensional QSAR studies on arylpiperazines as high-affinity 5-HT(1A) receptor ligands
    • Weber, K.C.; Honório, K.M.; Andricopulo, A.D.; Da Silva, A.B. Two-dimensional QSAR studies on arylpiperazines as high-affinity 5-HT(1A) receptor ligands. Med Chem., 2008, 4(4), 328-335.
    • (2008) Med Chem. , vol.4 , Issue.4 , pp. 328-335
    • Weber, K.C.1    Honório, K.M.2    Andricopulo, A.D.3    da Silva, A.B.4
  • 85
    • 46449097898 scopus 로고    scopus 로고
    • QSAR Study on Dual 5-HT1Aand 5-HT1B Antagonists: An Insight into the Structural Requirement for Antidepressant Activity
    • Dessalew, N. QSAR Study on Dual 5-HT1Aand 5-HT1B Antagonists: An Insight into the Structural Requirement for Antidepressant Activity. Arch. Pharm. Chem. Life Sci., 2008, 341, 314-322.
    • (2008) Arch. Pharm. Chem. Life Sci. , vol.341 , pp. 314-322
    • Dessalew, N.1


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