메뉴 건너뛰기




Volumn 2, Issue SUPPL2, 2012, Pages

Computational drug discovery of potential phosphodiesterase inhibitors using in silico studies

Author keywords

Binding energy; Inhibition constant; Intermolecular energy

Indexed keywords

AROMADEDRIN; BIOCHANIN A; CAFFEINE; ERIODICTYOL; ISORHAMNETIN; OKANIN; PHOSPHODIESTERASE INHIBITOR; UNCLASSIFIED DRUG;

EID: 84871769985     PISSN: 22221808     EISSN: None     Source Type: Journal    
DOI: 10.1016/S2222-1808(12)60272-2     Document Type: Article
Times cited : (9)

References (23)
  • 1
    • 1442351132 scopus 로고    scopus 로고
    • Protein flexibility in ligand docking and virtual screening to protein kinases
    • Cavasotto CN, Abagyan RA Protein flexibility in ligand docking and virtual screening to protein kinases. J. Mol. Biol 2004, 12:209-225.
    • (2004) J. Mol. Biol , vol.12 , pp. 209-225
    • Cavasotto, C.N.1    Abagyan, R.A.2
  • 2
    • 11144323163 scopus 로고    scopus 로고
    • Virtual screening of chemical libraries
    • Schoichet BK Virtual screening of chemical libraries. Nature 2004, 43:862-865.
    • (2004) Nature , vol.43 , pp. 862-865
    • Schoichet, B.K.1
  • 3
    • 65549108234 scopus 로고    scopus 로고
    • Virtual screening - what does it give us?
    • Koppen H Virtual screening - what does it give us?. Curr. Opin. Drug Disc. Dev 2009, 12:397-407.
    • (2009) Curr. Opin. Drug Disc. Dev , vol.12 , pp. 397-407
    • Koppen, H.1
  • 4
    • 79952528590 scopus 로고    scopus 로고
    • Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers
    • Collignon B, Schulz R, Smith JC Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers. J. Comput. Chem 2011, 32:1202-1209.
    • (2011) J. Comput. Chem , vol.32 , pp. 1202-1209
    • Collignon, B.1    Schulz, R.2    Smith, J.C.3
  • 7
    • 77953325845 scopus 로고    scopus 로고
    • Ligand docking and binding site analysis with PyMOL and Autodock/Vina
    • Seeliger D, Groot BL Ligand docking and binding site analysis with PyMOL and Autodock/Vina. J. Comput. Aided Mol. Des 2010, 24:417-424.
    • (2010) J. Comput. Aided Mol. Des , vol.24 , pp. 417-424
    • Seeliger, D.1    Groot, B.L.2
  • 8
    • 0031708667 scopus 로고    scopus 로고
    • Effect of plant flavonoids on immune and inflammatory cell function
    • Middleton EJ Effect of plant flavonoids on immune and inflammatory cell function. Adv Exp Med Biol 1998, 439:175-182.
    • (1998) Adv Exp Med Biol , vol.439 , pp. 175-182
    • Middleton, E.J.1
  • 9
    • 0031839464 scopus 로고    scopus 로고
    • Tissue injury by reactive oxygen species and the protective effects of flavonoids
    • Groot H, Rauen U Tissue injury by reactive oxygen species and the protective effects of flavonoids. Fundam Clin Pharmacol 1998, 12:249-255.
    • (1998) Fundam Clin Pharmacol , vol.12 , pp. 249-255
    • Groot, H.1    Rauen, U.2
  • 10
    • 0029610477 scopus 로고
    • Review of the biology of quercetin and related bioflavonoids
    • Formica JV, Regelson W Review of the biology of quercetin and related bioflavonoids. Food Chem Toxicol 1995, 33:1061-1080.
    • (1995) Food Chem Toxicol , vol.33 , pp. 1061-1080
    • Formica, J.V.1    Regelson, W.2
  • 11
    • 3242758203 scopus 로고    scopus 로고
    • Inhibition of the phosphodiesterase 4 (PDE4) enzyme reverses memory deficits produced by infusion of the MEK inhibitor U0126 into the CA1 subregion of the rat hippocampus
    • Zhang HT, Zhao Y, Huang Y, Dorairaj NR, Chandler LJ, Donnell JM Inhibition of the phosphodiesterase 4 (PDE4) enzyme reverses memory deficits produced by infusion of the MEK inhibitor U0126 into the CA1 subregion of the rat hippocampus. Neuropsychopharmacology 2004, 29(8):1432-1439.
    • (2004) Neuropsychopharmacology , vol.29 , Issue.8 , pp. 1432-1439
    • Zhang, H.T.1    Zhao, Y.2    Huang, Y.3    Dorairaj, N.R.4    Chandler, L.J.5    Donnell, J.M.6
  • 12
    • 21144437565 scopus 로고    scopus 로고
    • Phosphodiesterase: overview of protein structures, potential therapeutic applications and recent progress in drug development
    • Jeon Y, Heo Y, Kim C, Hyun Y, Lee T, Ro S, Cho J Phosphodiesterase: overview of protein structures, potential therapeutic applications and recent progress in drug development. Cell Mol Life Sci 2005, 62(11):1198-1220.
    • (2005) Cell Mol Life Sci , vol.62 , Issue.11 , pp. 1198-1220
    • Jeon, Y.1    Heo, Y.2    Kim, C.3    Hyun, Y.4    Lee, T.5    Ro, S.6    Cho, J.7
  • 13
    • 74549146102 scopus 로고    scopus 로고
    • Phosphodiesterase-5 inhibitors and benign prostatic hyperplasia. Curr. Opin
    • Wang C Phosphodiesterase-5 inhibitors and benign prostatic hyperplasia. Curr. Opin. Urol 2010, 20(1):49-54.
    • (2010) Urol , vol.20 , Issue.1 , pp. 49-54
    • Wang, C.1
  • 14
    • 0017082998 scopus 로고
    • Properties and drug responsiveness of cyclic nucleotide phosphodiesterases of rat lung
    • Fertel R, Weiss B Properties and drug responsiveness of cyclic nucleotide phosphodiesterases of rat lung. Mol. Pharmacol 1976, 12:678-687.
    • (1976) Mol. Pharmacol , vol.12 , pp. 678-687
    • Fertel, R.1    Weiss, B.2
  • 15
    • 0016135272 scopus 로고
    • Ontogenetic development of a phosphodiesterase activator and the multiple forms of cyclic AMP phosphodiesterase of rat brain
    • Strada SJ, Uzunov P, Weiss B Ontogenetic development of a phosphodiesterase activator and the multiple forms of cyclic AMP phosphodiesterase of rat brain. J. Neurochem 1974, 23:1097-1103.
    • (1974) J. Neurochem , vol.23 , pp. 1097-1103
    • Strada, S.J.1    Uzunov, P.2    Weiss, B.3
  • 16
    • 44349134115 scopus 로고    scopus 로고
    • Sildenafil and cardiomyocyte-specific cGMP signaling prevent cardiomyopathic changes associated with dystrophin deficiency
    • Khairallah M, Khairallah RJ, Young ME Sildenafil and cardiomyocyte-specific cGMP signaling prevent cardiomyopathic changes associated with dystrophin deficiency. Proc. Nat. Acad. Sci 2008, 105(19):7028-7033.
    • (2008) Proc. Nat. Acad. Sci , vol.105 , Issue.19 , pp. 7028-7033
    • Khairallah, M.1    Khairallah, R.J.2    Young, M.E.3
  • 17
  • 18
    • 80052981482 scopus 로고    scopus 로고
    • Binding-sites prediction assisting protein-protein docking
    • Konc J, Konc JT, Penca M, Janezic M Binding-sites prediction assisting protein-protein docking. Acta Chim. Solv 2011, 58:396-401.
    • (2011) Acta Chim. Solv , vol.58 , pp. 396-401
    • Konc, J.1    Konc, J.T.2    Penca, M.3    Janezic, M.4
  • 19
    • 84863771047 scopus 로고    scopus 로고
    • Study of potential xanthine oxidase inhibitors: In silico and in vitro biological activity biological activity biological activity biological activity
    • Umamaheswari M, Madeswaran A, Asokkumar K, Sivashanmugam T, Subhadradevi V, Jagannath P Study of potential xanthine oxidase inhibitors: In silico and in vitro biological activity biological activity biological activity biological activity. Bangladesh J Pharmacol 2011, 6:117-123.
    • (2011) Bangladesh J Pharmacol , vol.6 , pp. 117-123
    • Umamaheswari, M.1    Madeswaran, A.2    Asokkumar, K.3    Sivashanmugam, T.4    Subhadradevi, V.5    Jagannath, P.6
  • 20
    • 77957820654 scopus 로고    scopus 로고
    • Virtual screening for HIV protease inhibitors: A comparison of AutoDock 4 and vina
    • Chang MW, Ayeni C, Breuer S Virtual screening for HIV protease inhibitors: A comparison of AutoDock 4 and vina. PLOS ONE 2010, 5:119-155.
    • (2010) PLOS ONE , vol.5 , pp. 119-155
    • Chang, M.W.1    Ayeni, C.2    Breuer, S.3
  • 21
    • 33750083590 scopus 로고    scopus 로고
    • Critical assessment of the automated AutoDock as a new docking tool for virtual screening
    • Park H, Lee J, Lee S Critical assessment of the automated AutoDock as a new docking tool for virtual screening. Proteins 2006, 65:549-554.
    • (2006) Proteins , vol.65 , pp. 549-554
    • Park, H.1    Lee, J.2    Lee, S.3
  • 22
    • 84863762890 scopus 로고    scopus 로고
    • In Silico docking studies of lipoxygenase inhibitory activity of commercially available flavonoids. J. Comput. Method. Mol
    • Madeswaran A, Umamaheswari M, Asokkumar K, Sivashanmugam T, Subhadradevi V, Jagannath P In Silico docking studies of lipoxygenase inhibitory activity of commercially available flavonoids. J. Comput. Method. Mol. Design 2011, 1:65-72.
    • (2011) Design , vol.1 , pp. 65-72
    • Madeswaran, A.1    Umamaheswari, M.2    Asokkumar, K.3    Sivashanmugam, T.4    Subhadradevi, V.5    Jagannath, P.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.