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Volumn 12, Issue 16, 2012, Pages 1807-1814

Computational approaches to screen candidate ligands with anti-Parkinson's activity using R Programming

Author keywords

Autodock vina; Dopamine D3 receptor; Gingkolide A and R programming; Parkinson's disease; Rosmarinic acid

Indexed keywords

DOPAMINE 3 RECEPTOR; DOPAMINE RECEPTOR; LIGAND; ROPINIROLE; ROSMARINIC ACID;

EID: 84875318901     PISSN: 15680266     EISSN: 18734294     Source Type: Journal    
DOI: 10.2174/156802612803989273     Document Type: Article
Times cited : (9)

References (36)
  • 2
    • 84875307452 scopus 로고    scopus 로고
    • http://www.br13.com/html/3cšneuronal.html
  • 3
    • 79551499469 scopus 로고    scopus 로고
    • (Editors), 4th Edition, New York, Informa Healthcare Publishers
    • Pahwa R.; K.E. Lyons (Editors), Handbook of Parkinson's Disease, 4th Edition, New York, Informa Healthcare Publishers, 2007.
    • (2007) Handbook of Parkinson's Disease
    • Pahwa, R.1    Lyons, K.E.2
  • 4
    • 34250647459 scopus 로고    scopus 로고
    • Current Pharmacotherapeutic Treatment Options in Parkinson's Disease
    • Rezak, M. Current Pharmacotherapeutic Treatment Options in Parkinson's Disease, Dis. Mon., 2007, 53, 214-222.
    • (2007) Dis. Mon. , vol.53 , pp. 214-222
    • Rezak, M.1
  • 7
    • 53049104022 scopus 로고    scopus 로고
    • Receptor-binding and pharmacokinetic properties of dopaminergic agonists
    • Kvernmo, T.; Houben, J.; Sylte, I. Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr. Top. Med. Chem., 2008, 8(12), 1049-1067.
    • (2008) Curr. Top. Med. Chem. , vol.8 , Issue.12 , pp. 1049-1067
    • Kvernmo, T.1    Houben, J.2    Sylte, I.3
  • 8
    • 67849104638 scopus 로고    scopus 로고
    • PubChem: A public information system for analyzing bioactivities of small molecules
    • Yanli, Wang et. Al., PubChem: a public information system for analyzing bioactivities of small molecules, Nucleic acid research journal, 2009.
    • (2009) Nucleic acid research journal
    • Yanli, W.1
  • 9
    • 84875304120 scopus 로고    scopus 로고
    • http://www.chemaxon.com/products/marvin/
  • 10
    • 71549138352 scopus 로고    scopus 로고
    • Physiochemical property space distribution among human metabolites, drugs and toxins
    • Varun, K.; Ranganathan, S. Physiochemical property space distribution among human metabolites, drugs and toxins, BMC Bioinformatics. 2009, 10, S10.
    • (2009) BMC Bioinformatics. , vol.10
    • Varun, K.1    Ranganathan, S.2
  • 11
    • 11944256577 scopus 로고
    • Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients
    • Payne. "Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients". Reviews of Modern Physics, 64(4), pp. 1045-1097. (1992)
    • (1992) Reviews of Modern Physics , vol.64 , Issue.4 , pp. 1045-1097
    • Payne1
  • 12
    • 0000625523 scopus 로고
    • Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation
    • Atich et al., "Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation". Physical Review B 39 (8), pp. 4997-5004, (1989)
    • (1989) Physical Review B , vol.39 , Issue.8 , pp. 4997-5004
    • Atich1
  • 13
    • 25044445420 scopus 로고
    • Energy-minimization approach to the atomic geometry of semiconductor surfaces
    • Chadi
    • Chadi, "Energy-minimization approach to the atomic geometry of semiconductor surfaces", Physical Review Letters, 1978, 41 (15), pp. 1062-1065.
    • (1978) Physical Review Letters , vol.41 , Issue.15 , pp. 1062-1065
  • 14
    • 6844250767 scopus 로고    scopus 로고
    • Dopamine Receptors: From Structure to Function
    • January
    • CRISTINA MISSALE et al., "Dopamine Receptors: From Structure to Function"PHYSIOLOGICAL REVIEWS, 78, 1, January 1998
    • (1998) Physiological Reviews , vol.78 , Issue.1
    • Missale, C.1
  • 15
    • 78449305788 scopus 로고    scopus 로고
    • Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist
    • 6007
    • Chien, E. Y.; Liu, W. "Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist". Science, 2010, 19, 330(6007), 1091-1095.
    • (2010) Science , vol.19 , Issue.330 , pp. 1091-1095
    • Chien, E.Y.1    Liu, W.2
  • 16
    • 70349201570 scopus 로고    scopus 로고
    • AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
    • Trott, O.; Olson, A. J. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, J. Comput. Chem., 2010, 3, 1455-1461.
    • (2010) J. Comput. Chem. , vol.3 , pp. 1455-1461
    • Trott, O.1    Olson, A.J.2
  • 17
    • 18744394070 scopus 로고    scopus 로고
    • Q-SiteFinder: An energy-based method for the prediction of protein-ligand binding sites
    • Laurie, A.T.; Jackson, R.M. Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites. Bioinformatics. 2005, 1, 21(9), 1908-1916.
    • (2005) Bioinformatics. , vol.1-21 , Issue.9 , pp. 1908-1916
    • Laurie, A.T.1    Jackson, R.M.2
  • 18
    • 38049160208 scopus 로고    scopus 로고
    • Steady-State Pharmacokinetic Properties of a 24-Hour Prolonged-Release Formulation of Ropinirole: Results of Two Randomized Studies in Patients with Parkinson's Disease
    • Tompson, Debra, J. Steady-State Pharmacokinetic Properties of a 24-Hour Prolonged-Release Formulation of Ropinirole: Results of Two Randomized Studies in Patients with Parkinson's Disease. Clin. Pharmacokinet., 2007, 29(12), 2654.
    • (2007) Clin. Pharmacokinet. , vol.29 , Issue.12 , pp. 2654
    • Tompson, D.J.1
  • 19
    • 84875345933 scopus 로고    scopus 로고
    • http://www.organic-chemistry.org/prog/peo/
  • 20
    • 80055091440 scopus 로고    scopus 로고
    • http://directory.fsf.org/project/gnur/, Retrieved 2011-06-06, "Free Software Directory GNU R", Retrieved 2011-06-06
    • The R Project for Statistical Computing. http://www.gnu.org/software/r/. Retrieved 2011-06-06. "Free Software Directory GNU R".http://directory.fsf.org/project/gnur/.Retrieved 2011-06-06.
    • The R Project for Statistical Computing
  • 23
    • 79951636620 scopus 로고    scopus 로고
    • (2009-01-06), New YorkTimes, Retrieved 2009-04-28
    • Vance, Ashlee (2009-01-06). "Data Analysts Captivated by R's Power". New YorkTimes. http://www.nytimes.com/2009/01/07/tech nology/business-computing/07program.html. Retrieved 2009-04-28.
    • Data Analysts Captivated by R's Power
    • Vance, A.1
  • 24
    • 84875349038 scopus 로고    scopus 로고
    • Retrieved 2009-07-20
    • Robert Gentleman's home page. http://myprofile.cos.com/rgentleman. Retrieved 2009-07-20.
    • Robert Gentleman's home page
  • 25
    • 33846799417 scopus 로고    scopus 로고
    • Chemical Informatics Functionality in R
    • Rajarshi, G. Chemical Informatics Functionality in R. J. Statistical Software, 2007, Volume 18, Issue 5.
    • (2007) J. Statistical Software , vol.18 , Issue.5
    • Rajarshi, G.1
  • 26
    • 33744761434 scopus 로고    scopus 로고
    • Hierarchical clustering via Joint Between-Within Distances: Extending Ward's Minimum Variance Method
    • Székely, G. J.; Rizzo, M. L. Hierarchical clustering via Joint Between-Within Distances: Extending Ward's Minimum Variance Method, J. Classification., 2005, 22, 151-183.
    • (2005) J. Classification. , vol.22 , pp. 151-183
    • Székely, G.J.1    Rizzo, M.L.2
  • 27
    • 84944178665 scopus 로고
    • Hierarchical Grouping to Optimize an Objective Function
    • doi:10.2307/2282967. JSTOR 2282967. MR 0148188
    • Ward, Joe H. (1963). "Hierarchical Grouping to Optimize an Objective Function". Journal of the American Statistical Association 58 (301): 236-244. doi:10.2307/2282967. JSTOR 2282967. MR 0148188
    • (1963) Journal of the American Statistical Association , vol.58 , Issue.301 , pp. 236-244
    • Ward, J.H.1
  • 29
    • 84875355379 scopus 로고    scopus 로고
    • version 1.5.4, Hans-Peter Suter, 2011-01-25
    • Package 'xlsReadWrite', version 1.5.4, Hans-Peter Suter, 2011-01-25
    • Package 'xlsReadWrite'
  • 30
    • 83155162577 scopus 로고    scopus 로고
    • Department of Geology, University of Georgia, Athens, GA 30602-2501
    • Steven M. Holand, CLUSTER ANALYSIS, Department of Geology, University of Georgia, Athens, GA 30602-2501
    • Cluster Analysis
    • Holand, S.M.1
  • 33
    • 0004094721 scopus 로고    scopus 로고
    • MIT Press, Cambridge, MA, (Partly available on line: [3].) ISBN 0-262-19475-9
    • Bernhard Schölkopf and A. J. Smola: Learning with Kernels. MIT Press, Cambridge, MA, 2002. (Partly available on line: [3].) ISBN 0-262-19475-9
    • (2002) Learning with Kernels
    • Schölkopf, B.1    Smola, A.J.2
  • 34
    • 0020118274 scopus 로고    scopus 로고
    • Neural networks and physical systems with emergent collective computational abilities
    • April 1982 Biophysics
    • J. J. HOPFIELD Neural networks and physical systems with emergent collective computational abilities. Proc. NatL Acad. Sci. USA Vol. 79, pp. 2554-2558, April 1982 Biophysics
    • Proc. NatL Acad. Sci. USA Vol , vol.79 , pp. 2554-2558
    • Hopfield, J.J.1
  • 35
    • 0013087461 scopus 로고    scopus 로고
    • 3rd Edition, Thomson Brooks/Cole, ISBN 0-534-39402-7
    • Utts, Jessica M. Seeing Through Statistics 3rd Edition, Thomson Brooks/Cole, 2005, pp 166-167. ISBN 0-534-39402-7
    • (2005) Seeing Through Statistics , pp. 166-167
    • Utts, J.M.1
  • 36
    • 84865082748 scopus 로고    scopus 로고
    • The Quality Toolbox. Milwaukee, Wisconsin: American Society for Quality. Retrieved 2010-02-05
    • Nancy R. Tague (2004). "Seven Basic Quality Tools". The Quality Toolbox. Milwaukee, Wisconsin: American Society for Quality. p. 15. Retrieved 2010-02-05.
    • (2004) Seven Basic Quality Tools , pp. 15
    • Tague, N.R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.