Publikationen, an denen er mitarbeitet María Lourdes Santana Penín (24)

2013

  1. Synthetic oxoisoaporphine alkaloids: in vitro, in vivo and in silico assessment of antileishmanial activities.

    PloS one, Vol. 8, Núm. 10

2009

  1. A network-QSAR model for prediction of genetic-component biomarkers in human colorectal cancer

    Journal of Theoretical Biology, Vol. 261, Núm. 3, pp. 449-458

  2. Scoring function for DNA-drug docking of anticancer and antiparasitic compounds based on spectral moments of 2D lattice graphs for molecular dynamics trajectories

    European Journal of Medicinal Chemistry, Vol. 44, Núm. 11, pp. 4461-4469

2008

  1. Proteomics, networks and connectivity indices

    Proteomics, Vol. 8, Núm. 4, pp. 750-778

  2. QSAR model for alignment-free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP-lattice networks

    Journal of Computational Chemistry, Vol. 29, Núm. 16, pp. 2613-2622

  3. Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors

    Journal of Medicinal Chemistry, Vol. 51, Núm. 21, pp. 6740-6751

2007

  1. 2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function

    Journal of Computational Chemistry, Vol. 28, Núm. 6, pp. 1049-1056

  2. A model for the recognition of protein kinases based on the entropy of 3D van der waals interactions

    Journal of Proteome Research, Vol. 6, Núm. 2, pp. 904-908

  3. ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds

    European Journal of Medicinal Chemistry, Vol. 42, Núm. 5, pp. 580-585

  4. Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies

    Chemometrics and Intelligent Laboratory Systems, Vol. 85, Núm. 1, pp. 20-26

  5. Computational chemistry development of a unified free energy Markov Model for the distribution of 1300 chemicals to 38 different environmental or biological systems

    Journal of Computational Chemistry, Vol. 28, Núm. 11, pp. 1909-1923

  6. Medicinal chemistry and bioinformatics - Current trends in drugs discovery with networks topological indices

    Current Topics in Medicinal Chemistry, Vol. 7, Núm. 10, pp. 1015-1029

  7. On the applicability of QSAR for recognition of miRNA bioorganic structures at early stages of organism and cell development: Embryo and stem cells

    Bioorganic and Medicinal Chemistry, Vol. 15, Núm. 7, pp. 2544-2550

  8. QSAR study of anticoccidial activity for diverse chemical compounds: Prediction and experimental assay of trans-2-(2-nitrovinyl)furan

    Bioorganic and Medicinal Chemistry, Vol. 15, Núm. 2, pp. 962-968

  9. Unified QSAR approach to antimicrobials. Part 2: Predicting activity against more than 90 different species in order to halt antibacterial resistance

    Bioorganic and Medicinal Chemistry, Vol. 15, Núm. 2, pp. 897-902

2006

  1. A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins

    Journal of Medicinal Chemistry, Vol. 49, Núm. 3, pp. 1149-1156

  2. Stochastic entropy QSAR for the in silico discovery of anticancer compounds: Prediction, synthesis, and in vitro assay of new purine carbanucleosides

    Bioorganic and Medicinal Chemistry, Vol. 14, Núm. 4, pp. 1095-1107

  3. Unify QSAR approach to antimicrobials. Part 1: Predicting antifungal activity against different species

    Bioorganic and Medicinal Chemistry, Vol. 14, Núm. 17, pp. 5973-5980

2005

  1. 3D QSAR Markov model for drug-induced eosinophilia - Theoretical prediction and preliminary experimental assay of the antimicrobial drug G1

    Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 5, pp. 1523-1530

  2. Design, synthesis and photobiological properties of 3,4- cyclopentenepsoralens

    Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 3, pp. 809-817