Molecular and Industrial Biotechnology group. GBMI

Dr. Alejandro Cruz

Scientific contributions


Peer reviewed publications
  • Gavrilyuk V., Cruz A., Aksenov V., Nurgaliev D., Zhuravlev A., Golovanov A., Lluch J.M., Kuhn H., Ivanov I. and González-Lafont À. Exploring allosteric properties of mammalian ALOX15: octyl (N-(4-(benzofuran-2-yl)-2-methoxyphenyl)sulfamoyl)- and octyl (N-(4-(1H-indol-2-yl)-2-methoxyphenyl)sulfamoyl)carbamates as ALOX inhibitors. RSC Advances, 2025. https://doi.org/10.1039/D5RA03640B
  • Cruz A. and Warshel A. Efficient Characterization of GPCRs Allosteric Modulation: Application to the Rational Design of De Novo S1PR1 Allosteric Modulators. Journal of Chemical Information and Modeling, 2025. https://doi.org/10.1021/acs.jcim.5c01163
  • Cruz A. and Warshel A. Unraveling GPCRs Allosteric Modulation. Cannabinoid 1 Receptor as a Case Study. Proteins: Structure, Function, and Bioinformatics, 2025. https://doi.org/10.1002/prot.26762
  • Cruz A., González-Lafont À. and Lluch J.M. Theoretical Study of the Arachidonic Acid Conversion into Leukotriene A4 Catalyzed by Human 5-Lipoxygenase: Hydroperoxidation and Epoxidation Mechanisms and Arachidonic Acid Active Site Access. ACS Catalysis, 2024. https://doi.org/10.1021/acscatal.3c04954
  • Zhuravlev A., Cruz A., Aksenov V., Golovanov A., Lluch J.M,, Kuhn H., González-Lafont À. and Ivanov I. Different Structures—Similar Effect: Do Substituted 5-(4-Methoxyphenyl)-1H-indoles and 5-(4-Methoxyphenyl)-1H-imidazoles Represent a Common Pharmacophore for Substrate Selective Inhibition of Linoleate Oxygenase Activity of ALOX15? Molecules, 2023. https://doi.org/10.3390/molecules28145418
  • Golovanov A., Zhuravlev A., Cruz A., Aksenov V., Shafiullina R., Kakularam K.R., Lluch J.M., Kuhn H., González-Lafont À. and Ivanov I. N-Substituted 5-(1H-Indol-2-yl)-2-methoxyanilines Are Allosteric Inhibitors of the Linoleate Oxygenase Activity of Selected Mammalian ALOX15 Orthologs: Mechanism of Action. Journal of Medicinal Chemistry, 2022. https://doi.org/10.1021/acs.jmedchem.1c01563
  • Romero-Téllez S., Cruz , Masgrau L., González-Lafont À. and Lluch J.M. Accounting for the instantaneous disorder in the enzyme-substrate Michaelis complex to calculate the Gibbs free energy barrier of an enzyme reaction. Physical Chemistry Chemical Physics, 2021. https://doi.org/10.1039/D1CP01338F
  • Ivanov I., Cruz A., Zhuravlev A., Di Venere A., Nicolai E., Stehling S., Lluch J.M., González-Lafont À. and Kuhn H. Conformational Heterogeneity and Cooperative Effects of Mammalian ALOX15. International Journal of Molecular Science, 2021. https://doi.org/10.3390/ijms22063285
  • Cruz A., González-Lafont À. and Lluch J.M. Deciphering the Molecular Details of the Lipoxin Formation Mechanism in the 5(S),15(S)-DiHpETE Biosynthetic Pathway Catalyzed by Reticulocyte 15-Lipoxygenase-1. The Journal of Physical Chemistry B, 2020. https://doi.org/10.1021/acs.jpcb.0c09147
  • Cruz A., Di Venere A., Mei G., Zhuravlev A., Golovanov A., Stehling S., Heydeck D., Lluch J.M., González-Lafont À., Kuhn H. and Ivanov I. A role of Gln596 in fine-tuning mammalian ALOX15 specificity, protein stability and allosteric properties. Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids, 2020. https://doi.org/10.1016/j.bbalip.2020.158680