Computer-aided drug design, synthesis and evaluation of new anti-cancer drugs

Current Topics in Medicinal Chemistry

Volumn 12, Issue 24, 2012, Pages 2703-2704

  Cordeiro, M Natália D S ^a   Speck Planche, Alejandro ^a  

^a UNIVERSITY OF PORTO   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

ANTINEOPLASTIC AGENT;

ARTICLE; COMPUTER AIDED DESIGN; SCIENTIFIC LITERATURE; CHEMISTRY; DRUG DESIGN; EDITORIAL; HUMAN; NEOPLASM;

ANTINEOPLASTIC AGENTS; COMPUTER-AIDED DESIGN; DRUG DESIGN; HUMANS; NEOPLASMS;

EID: 84883677787     PISSN: 15680266     EISSN: 18734294     Source Type: Journal    
DOI: 10.2174/1568026611212240001     Document Type: Article

References (26)

1. Workman, P.; Collins, I. Modern cancer drug discovery: integrating targets, technologies and treatments. In Cancer Drug Design and Discovery, 1st ed.; Neidle, S., Ed. Academic Press: London, 2007; pp 3-38.
2. Airley, R. Cancer Chemotherapy, Wiley-Blackwell, John Wiley & Sons Ltd: Chichester, West Sussex, 2009.
3. Lahat, G.; Lazar, A.; Lev, D. Sarcoma epidemiology and etiology: potential environmental and genetic factors. Surg Clin North Am, 2008, 88, 451-481.
4. Avendaño, C.; Menéndez, J.C. Medicinal Chemistry of Anticancer Drugs, Elsevier B.V.: Amsterdam, Boston, Heidelberg, London, New York, Oxford, Paris, San Diego, San Francisco, Singapore, Sydney, Tokyo, 2008.
5. Jemal, A.; Bray, F.; Center, M.M.; Ferlay, J.; Ward, E.; Forman, D. Global cancer statistics. CA-Cancer J Clin, 2011, 61, 69-90.
6. Parsons, R.A. Progress in Cancer Drug Resistance Research. Nova Science Publishers, Inc.: New York, 2007.
7. Kubinyi, H. QSAR: Hansch Analysis and Related Approaches, VCH Publishers: Weinheim, New York, Basel, Cambridge, Tokyo, 1993.
8. Todeschini, R.; Consonni, V. Molecular Descriptors for Chemoinformatics, WILEY-VCH Verlag GmbH & Co. KGaA: Weinheim, 2009.
9. Larson, R.S. Bioinformatics and Drug Discovery, Humana Press Inc.: Totowa, New Jersey, 2006.
10. Morales, G.A.; Bunin, B.A. Combinatorial Chemistry Part B, Academic Press, Elsevier Inc.: Amsterdam, Boston, Heidelberg, London, New York, Oxford, Paris, San Diego, San Francisco, Singapore, Sydney, Tokyo, 2003.
11. Kitchen, D.B.; Decornez, H.; Furr, J.R.; Bajorath, J. Docking and scoring in virtual screening for drug discovery: methods and applications. Nat. Rev. Drug Discov., 2004, 3, 935-949.
12. Speck-Planche, A.; Luan, F.; Cordeiro, M.N.D.S. Role of ligand-based drug design methodologies toward the discovery of new anti-Alzheimer agents:futures perspectives in Fragment-Based Ligand Design. Curr. Med. Chem., 2012, 19, 1635-1645.
13. Speck-Planche, A.; Kleandrova, V.V.; Scotti, M.T. Fragment-based approach for the in silico discovery of multi-target insecticides. Chemometr. Intell.Lab. Syst., 2012, 111, 39-45.
14. Speck-Planche, A.; Kleandrova, V.V.; Luan, F.; Cordeiro, M.N.D.S. Chemoinformatics in multi-target drug discovery for anti-cancer therapy: in silicodesign of potent and versatile anti-brain tumor agents. Anticancer Agents Med. Chem., 2012, 12, 678-685.
15. Speck-Planche, A.; Kleandrova, V.V.; Luan, F.; Cordeiro, M.N.D.S. In silico discovery and virtual screening of multi-target inhibitors for proteins inMycobacterium tuberculosis. Comb. Chem. High Throughput Screen., 2012, 15, 666-673.
16. Molina, E.; Sobarzo-Sanchez, E.; Speck-Planche, A.; Matos, M.J.; Uriarte, E.; Santana, L.; Yanez, M.; Orallo, F. Monoamino Oxidase A: aninteresting pharmacological target for the development of multi-target QSAR. Mini Rev. Med. Chem., 2012, 12, 947-958.
17. Speck-Planche, A.; Kleandrova, V.V.; Rojas-Vargas, J.A. QSAR model toward the rational design of new agrochemical fungicides with a definedresistance risk using substructural descriptors. Mol. Divers., 2011, 15, 901-909.
18. Speck-Planche, A.; Cordeiro, M.N.D.S. Application of Bioinformatics for the search of novel anti-viral therapies: Rational design of anti-herpesagents. Curr. Bioinform., 2011, 6, 81-93.
19. Tenorio-Borroto, E.; Penuelas Rivas, C.G.; Vasquez Chagoyan, J.C.; Castanedo, N.; Prado-Prado, F.J.; Garcia-Mera, X.; Gonzalez-Diaz, H. ANNmultiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen. Bioorg. Med. Chem., 2012, 20, 6181-6194.
20. Riera-Fernandez, P.; Martin-Romalde, R.; Prado-Prado, F.J.; Escobar, M.; Munteanu, C.R.; Concu, R.; Duardo-Sanchez, A.; Gonzalez-Diaz, H. FromQSAR models of drugs to complex networks: state-of-art review and introduction of new Markov-spectral moments indices. Curr. Top. Med. Chem., 2012, 12, 927-960.
21. Gonzalez-Diaz, H. Editorial: QSAR/QSPR models as enabling technologies for drug & targets discovery in: medicinal chemistry, microbiology-parasitology, neurosciences, bioinformatics, proteomics and other biomedical sciences. Curr. Top. Med. Chem., 2012, 12, 799-801.
22. Gonzalez-Diaz, H.; Prado-Prado, F.; Garcia-Mera, X.; Alonso, N.; Abeijon, P.; Caamano, O.; Yanez, M.; Munteanu, C.R.; Pazos, A.; Dea-Ayuela, M.A.; Gomez-Munoz, M.T.; Garijo, M.M.; Sansano, J.; Ubeira, F.M. MIND-BEST: Web Server for Drugs and Target Discovery; Design, Synthesis,and Assay of MAO-B Inhibitors and Theoretical-Experimental Study of G3PDH Protein from Trichomonas gallinae. J. Proteome Res., 2011, 10,1698-1718.
23. Estrada, E.; Gutiérrez, Y. MODESLAB, v1.5; Santiago de Compostela, 2002-2004.
24. González-Díaz, H.; Molina, R.R.; Hernández, S.I. MARCH-INSIDE, v2.0; Villa Clara, Cuba, 2003.
25. Marrero-Ponce, Y.; Romero, V. TOMOCOMD software. TOMOCOMD (TOpological MOlecular COMputer Design) for Windows, v1.0; Villa Clara,2002.
26. Bonetti, A.; Leone, R.; Muggia, F.M.; Howell, S.B. Platinum and Other Heavy Metal Compounds in Cancer Chemotherapy: Molecular Mechanismsand Clinical Applications. Humana Press, Springer Science+Business Media: New York, 2009.