Drug screening for influenza neuraminidase inhibitors

Science in China, Series C: Life Sciences

Volumn 48, Issue 1, 2005, Pages 1-5

  Liu, Ailin ^a   Cao, Hongpeng ^b   Du, Guanhua ^a  

^a INSTITUTE OF MATERIA MEDICA   (China)

^b INSTITUTE OF MEDICINAL BIOTECHNOLOGY   (China)

Author keywords

High throughput screening (HTS); Influenza virus; Inhibitor; Neuraminidase (NA); Virtual screening

Indexed keywords

INFLUENZAVIRUS A; ORTHOMYXOVIRIDAE;

ANTIVIRUS AGENT; ENZYME INHIBITOR; SIALIDASE;

ARTICLE; BINDING SITE; CHEMICAL MODEL; COMBINATORIAL CHEMISTRY; DATA BASE; DRUG ANTAGONISM; DRUG DESIGN; DRUG SCREENING; ENZYMOLOGY; IC 50; INFLUENZA VIRUS A; INFLUENZA VIRUS B; METHODOLOGY;

ANTIVIRAL AGENTS; BINDING SITES; COMBINATORIAL CHEMISTRY TECHNIQUES; DATABASES; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; INFLUENZA A VIRUS; INFLUENZA B VIRUS; INHIBITORY CONCENTRATION 50; MODELS, CHEMICAL; NEURAMINIDASE;

EID: 21944446960     PISSN: 10069305     EISSN: None     Source Type: Journal    
DOI: 10.1360/062004-69     Document Type: Review

References (12)

1. Calfee, D. P., Hayden, F. G., New approaches to influenza chemotherapy: Neuraminidase inhibitors, Drugs, 1998, 56(4): 537-553.
2. Gubareva, L. V., Kaiser, L., Hayden, F. G., Influenza virus neuraminidase inhibitors, Lancet, 2000, 355: 827-835.
3. Janakiraman, M. N., White, C. L., Laver, W. G. et al., Structure of influenza virus neuraminidase B/Lee/40 complexed with sialic acid and a dehydro analogue at 1.8 A resolution: Implication for the catalytic mechanism. Biochemistry, 1994, 33: 8172-8179.
4. Varghese, J. N., Mckimm-Breschkin, J. L., Caldwell, J. B. et al., The structure of the complex between influenza virus neuraminidase and sialic acid, the viral receptor. Proteins: Struct. Funct. Genet., 1992, 14: 327-332.
5. Bossart-Whitaker, P., Carson, M., Babu, Y. S. et al., Three-dimensional structure of influenza A N9 neuraminidase and its complex with the inhibitor 2-Deoxy-2,3-dehydro-N-acetyl neuraminic acid, J. Mol. Biol., 1993, 232: 1069-1083.
6. Taylor, N. R., Cleasby, A., Singh, O. et al., Dihydropyrancarboxamides related to zanamivir: A new series of inhibitors of influenza virus sialidases. 2. crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B, J. Med. Chem., 1998, 41: 798-807.
7. Rishton, G. M., Reactive compounds and in vitro false positive in HTS, Drug Discovery Today, 1997, 2(9): 382-384.
8. Lipinski, C. A., Lombardo, F., Dominy, B. W. et al., Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings, Adv. Drug Delivery Rev., 2001, 46(1-3): 3-26.
9. Babu, Y. S., Chand, P., Bantia, S. et al., BCX-1812 (RWJ-270201): Discovery of a novel, highly potent, orally active, and selective influenza neuraminidase inhibitor through structure-based drug design, J. Med. Chem., 2000, 43(19): 3482-3486.
10. Rarey, M., Kramer, B., Lengauer, T., Docking of hydrophobic ligands with interaction-based matching algorithms, Bioinformatics, 1999, 15 (3): 243-250.
11. Cao, H. P., Tao, P. Z., Du, G. H., Establishment and application of high throughput screening model for influenza virus neuraminidase inhibitors in vitro, Yao Xue Xue Bao, 2002, 37(12): 930-933.
12. Lyne, P. D., Structure-based virtual screening: An overview, Drug Discov. Today, 2002, 7(20): 1047-1055.