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QSAR multi-target in drug discovery: a review.
Zanni R, Gálvez-Llompart M, Gálvez J, García-Domenech R. Zanni R, et al. Curr Comput Aided Drug Des. 2014;10(2):129-36. doi: 10.2174/157340991002140708105124. Curr Comput Aided Drug Des. 2014. PMID: 24724898 Review.
Chemistry explained by topology: an alternative approach.
Galvez J, Villar VM, Galvez-Llompart M, Amigó JM. Galvez J, et al. Comb Chem High Throughput Screen. 2011 May;14(4):279-83. doi: 10.2174/138620711795222464. Comb Chem High Throughput Screen. 2011. PMID: 21375503
Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype.
Marrero-Ponce Y, Siverio-Mota D, Gálvez-Llompart M, Recio MC, Giner RM, García-Domènech R, Torrens F, Arán VJ, Cordero-Maldonado ML, Esguera CV, de Witte PA, Crawford AD. Marrero-Ponce Y, et al. Eur J Med Chem. 2011 Dec;46(12):5736-53. doi: 10.1016/j.ejmech.2011.07.053. Epub 2011 Aug 17. Eur J Med Chem. 2011. PMID: 22000935
Molecular topology as a novel approach for drug discovery.
Gálvez J, Gálvez-Llompart M, García-Domenech R. Gálvez J, et al. Expert Opin Drug Discov. 2012 Feb;7(2):133-53. doi: 10.1517/17460441.2012.652083. Epub 2012 Jan 10. Expert Opin Drug Discov. 2012. PMID: 22468915 Review.
Modeling drug-induced anorexia by molecular topology.
Gálvez-Llompart M, Gálvez J, García-Domenech R, Kier LB. Gálvez-Llompart M, et al. J Chem Inf Model. 2012 May 25;52(5):1337-44. doi: 10.1021/ci2006092. Epub 2012 May 3. J Chem Inf Model. 2012. PMID: 22515949
36 results