INCT-INOFAR
INCT-INOFAR

USEFUL ARTICLES

Highlights in the Discovery of Antiviral Drugs: A Personal Retrospective

De Clercq, E  J. Med. Chem. (2010) 53: 1438-1450
DOI:10.1021/jm900932g

Homology modeling, docking, and molecular dynamics reveal HR1039 as a potent inhibitor of 2009 A(H1N1) influenza neuraminidase
Wang, Y.T. et al. Biophysical Chemistry (2010) 147: 74-80
DOI:10.1016/j.bpc.2009.12.002

Intracellular DNA recognition
Hornung, V. and Latz, E. Nature Reviews Immunology (2010) 10: 123-130
DOI:10.1038/nri2690

Novel approaches to inhibiting HIV-1 replication
Adamson, C.S. and Freed, E.O. Antiviral Research (2010) 85:119-141
DOI:10.1016/j.antiviral.2009.09.009

A novel DDS strategy, "dual-targeting", and its application for antineovascular therapy
Murase, Y. et al. Cancer Letters (2010) 287: 165-171
DOI:10.1016/j.canlet.2009.06.008

Click chemistry: Studies on the synthesis of novel fluorous tagged triazol-4-yl substituted quinazoline derivatives and their biological evaluation - Theoretical and experimental validation
Chandrika, P.M. et al. Eur. J. Med. Chem. (2010) 45:78-84
DOI:10.1016/j.ejmech.2009.09.027

A structural informatics approach to mine kinase knowledge bases
Brooijman,N. et al. Drug Discovery Today (2010) 15: 203-209
DOI:10.1016/j.drudis.2009.11.005

Molecular genetics and epigenetics of the cytochrome P450 gene family and its revelance for cancer risk and treatment
Rodriguez-Antona C et al.Hum Genet (2010) 127:1-17
DOI: 10.1007/s00439-009-0748-0

Kinase inhibitors: A winning combination against BCR–ABL
Flight, M.H. Nature Reviews Drug Discovery (2010) 9: 194-194
DOI:10.1038/nrd3119

Protein aggregation diseases: pathogenicity and therapeutic perspectives
Aguzzi, A. and O'Connor, T. Nature Reviews Drug Discovery (2010) 9: 237-248
DOI:10.1038/nrd3050

The regulation of IL-10 production by immune cells
Saraiva, M. and  O'Garra, A. Nature Review: Immunology (2010) 10: 170-181
DOI:10.1038/nri2711

Synthesis and biological evaluation of a library of resveratrol analogues as inhibitors of COX-1, COX-2 and NF-kB
Kang, S.S. et al. Bioorg. Med. Chem. (2009) 17:1044-1054
DOI:10.1016/j.bmc.2008.04.031

Chemoinformatics—An Introduction for Computer Scientists
Brown, N. ACM Comput. Surv. (2009) 41: Article 8
DOI: 10.1145/1459352.1459353
http://doi.acm.org/10.1145/1459352.1459353

Global and Site-Specific Quantitative Phosphoproteomics: Principles and Applications

Macek, B. et al. Annu. Rev. Pharmacol. Toxicol. (2009) 49:199–221
DOI:10.1146/annurev.pharmtox.011008.145606

Overview: Evaluation of Metabolism-Based Drug Toxicity in Drug Development

Li, A.P.Chemico-Biological Interactions (2009) 179: 1-3
DOI:10.1016/j.cbi.2008.11.013

Medicinal chemistry approaches to the inhibition of dipeptidyl peptidase-4 for the treatment of type 2 diabetes
Havale, S.H. and Pal, M. Bioorg. Med. Chem. (2009) 17: 1783-1802
DOI:10.1016/j.bmc.2009.01.061

The impact of aromatic ring count on compound developability - are to many aromatic rings a liability in drug design

Ritchie, T.J. and. Macdonald, S.J.F. Drug Discovery Today  (2009) 14: 1011-1020
DOI:10.1016/j.drudis.2009.07.014 

The TNF superfamily in 2009: new pathways. new indications, and new drugs.
Tansey, M.G. and Szymkowski, D.E. Drug Discovery Today (2009) 14: 1082-1088
DOI:10.1016/j.drudis.2009.10.002

Targeting virulence: A new paradigm for antifungals
Gauwerky, K. et al. Drug Discovery Today (2009) 14: 214-222
DOI:10.1016/j.drudis.2008.11.013 

An Efficient Laboratory Automation Concept for Process Chemistry

Bernlind, C and Urbaniczky, C. Org. Process Res. Dev. (2009)13: 1059-1067
DOI: 10.1021/op900154c

A Review of U.S. Patents in the Field of Organic Process Development Published During June and July 2009
Turner, K. Org.Process Res. Dev. (2009)13: 1046-1058
DOI: 10.1021/op900261t

Ultrasound in heterocycles chemistry
Cella, R. and. Stefani, H.A. Tetrahedron (2009) 65: 2619-2641
DOI:10.1016/j.tet.2008.12.027

Where is the hope for drug discovery ? Let history tell the future.
Kong, D-X. et al. Drug Discovery Today (2009) 14: 115-119
DOI:10.1016/j.drudis.2008.07.002

Correct assessment of new compounds using in vivo screening models can reduce false positives
Bueters, T.J.H. et al.Drug Discovery Today (2009) 14: 89-94
DOI:10.1016/j.drudis.2008.09.003

Drug discovery: new models for industry-academic partnerships
Tralau-Stewart, C.J.. et al. Drug Discovery Today (2009) 14: 95-101
DOI:10.1016/j.drudis.2008.10.003

How do we assure the quality of biological medicines ?
Longstaff, C. et al. Drug Discovery Today (2009) 14: 95-101
DOI:10.1016/j.drudis.2008.09.010 

Value networks identify innovation in 21 st century pharmaceutical research
Edwards, P.J. Drug Discovery Today (2009) 14: 68-77
DOI:10.1016/j.drudis.2008.09.015

Design of Selective Neuronal Nitric Oxide Synthase Inhibitors for the Prevention and Treatment of Neurodegenerative Diseases

Silverman, R.B. Acc. Chem. Res.(2009) 42: 439-451
DOI: 10.1021/ar800201v

Discovery of Innovative Small Molecule Therapeutics
Abou-Gharbia, M.  J. Med. Chem. ( 2009) 52:  2-9
DOI: 10.1021/jm8012823

Preclinical pharmacology of robenacoxib: a novel selective inhibitor of cyclooxygenase-2
King, J.N. et al. J. Vet. Pharmacol. Therap. (2009) 32: 1–17
DOI: 10.1111/j.1365-2885.2008.00962.x

The chemokine system as therapeutic target in cardiovascular disease
Koenen, R.R. and  von Hundelshausen, P. Drug Discovery Today: Disease Mechanisms (2008) 5: e285-e292
DOI:10.1016/j.ddmec.2008.09.004

Nicotinic Acid Receptor Agonists
Boatman, P.D. et al. J. Med. Chem. (2008) 51: 7653-7662
DOI: 10.1021/jm800896z

Collaboration: Group theory
Whitfield, J. Nature (2008) 455: 720-723.
DOI:10.1038/455720a

Metabonomic modeling of drug toxicity
Keun, H.C. Pharmacol. Ther. (2006) 109: 92-106
PMID: 16051371

The importance of estimating the therapeutic index in the development of matrix metalloproteinase inhibitors
Peterson, J.T. et al. Cardiovascular Research  (2006) 69: 677-687
DOI:10.1016/j.cardiores.2005.11.032

A role for physicians in ethnopharmacology and drug discovery
Raza, M. Journal of Ethnopharmacology (2006) 104:  297-301
DOI:10.1016/j.jep.2006.01.007 

European Union centralised procedure for marketing authorisation of oncology drugs: An in-depth review of its efficiency
Netzer, T. European Journal of Cancer  (2006) 42: 446-455
DOI:10.1016/j.ejca.2005.04.045

Optimizing the discovery organization for innovation
Sams-Dodd, F. Drug Discovery Today (2005) 10:  1049-1056
DOI:10.1016/S1359-6446(05)03539-7

Designed Multiple Ligands. An Emerging Drug Discovery Paradigm
Morphy, R. and  Rankovic, Z. J. Med. Chem. (2005) 48: 6523-6543
DOI: 10.1021/jm058225d

Quantitative risk modelling for new phamaceutical compounds
Tang, Z. et al. Drug Discovery Today (2005) 10: 1520-1526
DOI:10.1016/S1359-6446(05)03606-8

In Silico antitarget screening
Recanatini , M. et al. DDT:Techinologies  (2004) 1: 209-215
DOI:10.1016/j.ddtec.2004.10.004 

Selective Optimization of Side Activities: Another Way for Drug Discovery
Wermuth, C.G. J. Med. Chem. (2004) 47: 1303-1314
DOI: 10.1021/jm030480f

QSAR and ADME
Hansch, C. et al. Bioorg. Med. Chem. (2004) 12: 3391-3400
DOI:10.1016/j.bmc.2003.11.037

Marine Natural Products and Related Compounds in Clinical and Advanced Preclinical Trials
Newman, D.J. and  Cragg, G.M.  J. Nat. Prod. (2004) 67: 1216-1238
DOI: 10.1021/np040031y

The Role of Natural Product Chemistry in Drug Discovery
Butler, M.S.  J. Nat. Prod. (2004) 67: 2141-2153
DOI: 10.1021/np040106y  and  DOI: 10.1021/np058132z

Current Developments in the Discovery and Design of New Drug Candidates from Plant Natural Product Leads
Lee, K-H. J. Nat. Prod. (2004) 67: 273-283
DOI: 10.1021/np030373o

Fragment-Based Drug Discovery
Erlanson , D.A. et al. J. Med. Chem. (2004) 47: 3463-3482
DOI: 10.1021/jm040031v

Discovering Drugs through Biological Transformation: Role of Pharmacologically Active Metabolites in Drug Discovery
Fura, A. et al. J. Med. Chem. (2004) 47: 4339-4351
DOI: 10.1021/jm040066v

Enantiomeric resolution of animo acids by thin-layer chromatography
Nagata, Y. et al. Journal of Molecular Catalysis B: Enzymatic  (2001) 12: 105-108
DOI:10.1016/S1381-1177(00)00209-5 

Separation of isomers by ultrafiltration using modified cyclodextrins
Yudiarto , A. et al. Separation and Purification Technology (2000) 19: 103-112
DOI:10.1016/S1383-5866(00)00055-1 

ElogPoct:  A Tool for Lipophilicity Determination in Drug Discovery

Lombardo, F. et al. J. Med. Chem. (2000) 43: 2922 -2928
DOI: 10.1021/jm0000822

Separation and Identification of Tocotrienol Isomers by HPLC-MS and HPLC-NMR Coupling
Strohschein, S. et al.  Anal. Chem. (1999) 71: 1780-1785
DOI: 10.1021/ac981089i

Natural Products in Drug Discovery and Development
Cragg, G.M. et al. J. Nat. Prod. (1997) 60: 52-60
DOI: 10.1021/np9604893

Conformational studies by dynamic NMR. 40. Conformational atropoisomerism in highly hindered naphthylamines
Davalli, S. et al. J. Org. Chem. (1991) 56: 1739-1747
DOI: 10.1021/jo00005a017

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INCT of Drugs and Medicines - INCT-INOFAR