2021
(2021) , Molecular Simulation, 47:9, 762-770, DOI: 10.1080/08927022.2021.1926455.
Anderson H. Lima, José Rogério A. Silva, Cláudio Nahum Alves, and Jerônimo Lameira " QM/MM Study of the Fosfomycin Resistance Mechanism Involving FosB Enzyme" (2021) ACS Omega 2021 6 (19), 12507-12512 DOI: 10.1021/acsomega.1c00096.
Camila Auad Beltrão de Freitas, Raíssa Cristine Santos de Araújo, Simone Patrícia Aranha da Paz, José Rogério de Araújo Silva, Cláudio Nahum Alves, Jerônimo Lameira "Preparation And Characterization Of Β-Cyclodextrin Inclusion Complex Of Eugenol" (2021). Brazilian Journal of Development, ISSN: 2525-8761. DOI: 10.34117/bjdv7n3-838.
(2021), Journal of Biomolecular Structure and Dynamics, 39:6, 2044-2055, DOI: 10.1080/07391102.2020.1742206.
, , , et al. "Assessment of the PETase conformational changes induced by poly(ethylene terephthalate) binding". Proteins. 2021; 1– 13. DOI: 10.1002/prot.26155.
Carla Carolina Ferreira Meneses and Paulo Robson Monteiro de Sousa and Laine Celestino Pinto and Gerson Maciel Coelho and Tamires Ferreira da Silva and Luan Oliveira Ferreira and Kayo Silva Gustavo and Arnaldo Jorge Martins-Filho and Kelson do Carmo Freitas Faial and Elizabeth Sumi Yamada and Jerônimo Lameira and Jenny Jouin and Philippe Thomas and Olivier Masson and Dielly Catrina Favacho Lopes and Cláudio Nahum Alves "Layered double hydroxide–indomethacin hybrid: A promising biocompatible compound for the treatment of neuroinflammatory diseases" (2021), Journal of Drug Delivery Science and Technology, 61:102190, 1773-2247, DOI: 10.1016/j.jddst.2020.102190.
Lorenzo Cianni and Fernanda Dos Reis Rocho and Vinícius Bonatto and Felipe Cardoso Prado Martins and Jerônimo Lameira and Andrei Leitão and Carlos A. Montanari and Anwar Shamim "Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L" (2021), Bioorganic & Medicinal Chemistry, 29:115827, doi: 10.1016/j.bmc.2020.115827.
2020
Jean F.R. Ribeiro, Lorenzo Cianni, Chan Li, Thomas G. Warwick, Daniela de Vita, Fabiana Rosini, Fernanda dos Reis Rocho, Felipe C.P. Martins, Peter W. Kenny, Jeronimo Lameira, Andrei Leitão, Jonas Emsley, Carlos A. Montanari, "Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor" (2020), Bioorganic & Medicinal Chemistry, 28:22, 0968-0896, DOI: 10.1016/j.bmc.2020.115743.
Alexis J. Apostolos, Julia M. Nelson, José Rogério A. Silva, Jerônimo Lameira, Alecia M. Achimovich, Andreas Gahlmann, Cláudio N. Alves, and Marcos M. Pires ACS Chemical Biology (2020) 15 (11), 2966-2975, DOI: 10.1021/acschembio.0c00618.
Costa, Kauê S.; Galúcio, João M.; de Jesus, Deivid Almeida; Gomes, Guelber Cardoso; Lima e Lima, Anderson Henrique; Taube, Paulo S.; dos Santos, Alberto M.; Lameira, Jerônimo. "Targeting Peptidyl-prolyl Cis-trans Isomerase NIMA-interacting 1: A Structure-based Virtual Screening Approach to Find Novel Inhibitors" (2020), Bentham Science Publishers, 16:5, 605-617, DOI: 10.2174/1573409915666191025114009.
Lorenzo Cianni, Fernanda dos Reis Rocho, Fabiana Rosini, Vinícius Bonatto, Jean F.R. Ribeiro, Jerônimo Lameira, Andrei Leitão, Anwar Shamim, Carlos A. Montanari. "Optimization strategy of single-digit nanomolar cross-class inhibitors of mammalian and protozoa cysteine proteases" (2020), Bioorganic Chemistry, 101:104039, 0045-2068, DOI: 10.1016/j.bioorg.2020.104039.
José Rogério A. Silva, Lorenzo Cianni, Deborah Araujo, Pedro Henrique Jatai Batista, Daniela de Vita, Fabiana Rosini, Andrei Leitão, Jerônimo Lameira, and Carlos A. Montanari. "Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism" (2020), Journal of Chemical Information and Modeling 60 (3), 1666-1677, DOI: 10.1021/acs.jcim.9b01138.
Paulo R. M. Pereira, Jéssica de O. Araújo, José Rogério A. Silva, Cláudio N. Alves, Jerônimo Lameira, and Anderson H. Lima. "Exploring Chloride Selectivity and Halogenase Regioselectivity of the SalL Enzyme through Quantum Mechanical/Molecular Mechanical Modeling"(2020),Journal of Chemical Information and Modeling 60 (2), 738-746, DOI: 10.1021/acs.jcim.9b01079.
Emily C. M. Fonseca, Kauê S. da Costa, Jerônimo Lameira, Cláudio Nahum Alves and Anderson H. Lima. "Investigation of the target-site resistance of EPSP synthase mutants P106T and T102I/P106S against glyphosate" (2020), Royal Society of Chemistry, 44352-44360, DOI: 10.1039/D0RA09061A.
2019
Kauȇ Santana da Costa, João Marcos Galúcio, Clauber Henrique Souza da Costa, Amanda Ruslana Santana, Vitor dos Santos Carvalho, Lidiane Diniz do Nascimento, Anderson Henrique Lima e Lima, Jorddy Neves Cruz, Claudio Nahum Alves, and Jerônimo Lameira. "Exploring the Potentiality of Natural Products from Essential Oils as Inhibitors of Odorant-Binding Proteins: A Structure- and Ligand-Based Virtual Screening Approach To Find Novel Mosquito Repellents" (2019), ACS Omega 2019 4 (27), 22475-22486, DOI: 10.1021/acsomega.9b03157.
(2019), Journal of Biomolecular Structure and Dynamics, 37:16, 4374-4383, DOI: 10.1080/07391102.2018.1549508.
Sousa, Robson et al. "Ferulate Anion Intercalated into Zn/Al Layered Double Hydroxide: A Promising Intercalation Compound for Inhibition of Leishmania (L.) amazonensis". Journal of the Brazilian Chemical Society. 2019, v. 30, n. 6, pp. 1178-1188. ISSN 1678-4790, DOI: 10.21577/0103-5053.20190012.
Elnaz Aledavood, Gleiciane Moraes, Jeronimo Lameira, Ana Castro, F. Javier Luque, and Carolina Estarellas. "Understanding the Mechanism of Direct Activation of AMP-Kinase: Toward a Fine Allosteric Tuning of the Kinase Activity" (2019), Journal of Chemical Information and Modeling 59 (6), 2859-2870, DOI: 10.1021/acs.jcim.8b00890.
Lameira, Jerônimo and Bonatto, Vinícius and Cianni, Lorenzo and dos Reis Rocho, Fernanda and Leitão, Andrei and Montanari, Carlos A. "Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy" (2019). Phys. Chem. Chem. Phys., 21:44, 24723-24730, DOI: 10.1039/C9CP04820K.
Aledavood, Elnaz and Moraes, Gleiciane and Lameira, Jeronimo and Castro, Ana and Luque, Francisco Javier and Estarellas, Carolina. "Understanding the Mechanism of Direct Activation of AMP-Kinase: Towards a Fine Allosteric Tuning of the Kinase Activity" (2019). Multidisciplinary D. P. I. Proceedings, 22:1, 2504-3900, DOI: 10.3390/proceedings2019022012.
2018
Nelson Alencar and Irene Sola and María Linares and Jordi Juárez-Jiménez and Caterina Pont and Antonio Viayna and David Vílchez and Cristina Sampedro and Paloma Abad and Susana Pérez-Benavente and Jerónimo Lameira and José M. Bautista and Diego Muñoz-Torrero and F. Javier Luque. "First homology model of Plasmodium falciparum glucose-6-phosphate dehydrogenase: Discovery of selective substrate analog-based inhibitors as novel antimalarial agents" (2018).European Journal of Medicinal Chemistry, 146, 108-122 p., 0223-5234, DOI: 10.1016/j.ejmech.2018.01.044.
Dos Santos, Alberto Monteiro and Cianni, Lorenzo and De Vita, Daniela and Rosini, Fabiana and Leitão, Andrei and Laughton, Charles A. and Lameira, Jerônimo and Montanari, Carlos A. "Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles" (2018). The Royal Society of Chemistry, 20:37, 24317-24328, DOI: 10.1039/C8CP03320J.
2017
, , , et al. Inhibition of tyrosinase by 4H-chromene analogs: Synthesis, kinetic studies, and computational analysis. Chem Biol Drug Des. 2017; 90: 804– 810. DOI: 10.1111/cbdd.13001.
Kauê Santana da Costa and João Marcos Pereira Galúcio and Elvis Santos Leonardo and Guelber Cardoso and Élcio Leal and Guilherme Conde and Jerônimo Lameira. "Structural and evolutionary analysis of Leishmania Alba proteins" (2017). Molecular and Biochemical Parasitology, 217, 0166-6851, DOI: 10.1016/j.molbiopara.2017.08.006.
Pankaj Kumar and Varsha Chauhan and José Rogério A. Silva and Jerônimo Lameira and Felipe B. d'Andrea and Shao-Gang Li and Stephan L. Ginell and Joel S. Freundlich and Cláudio Nahum Alves and Scott Bailey and Keira A. Cohen and Gyanu Lamichhane. "Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins". Antimicrobial Agents and Chemotherapy, 61:10, DOI: 10.1128/AAC.00866-17.
Alberto M. dos Santos, Anderson H. Lima, Cláudio Nahum Alves, and Jerônimo Lameira. "Unraveling the Addition–Elimination Mechanism of EPSP Synthase through Computer Modeling". The Journal of Physical Chemistry B 2017 121 (37), 8626-8637, DOI: 10.1021/acs.jpcb.7b05063.
, , , et al. "Structure and analgesic properties of layered double hydroxides intercalated with low amounts of ibuprofen". J Am Ceram Soc. 2017; 100: 2712- 2721. DOI: 10.1111/jace.14763.
Lima, A.H., dos Santos, A.M., Alves, C.N. and Lameira, J. (2017), Computed insight into a peptide inhibitor preventing the induced fit mechanism of MurA enzyme from Pseudomonas aeruginosa. Chem Biol Drug Des, 89: 599-607. DOI: 10.1111/cbdd.12882.
Pont, Caterina and Alencar, Nelson and Sola, Irene and Linares, María and Palma, Luca Di and Barbaraci, Carla and Sampedro, Cristina and Juárez-Jiménez, Jordi and Abad, Paloma and Pérez-Benavente, Susana and Lameira, Jerónimo and Bautista, José M. and Luque, F. Javier and Muñoz-Torrero, Diego. "Design of Potential Antimalarial Agents Based on a Homology Model of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase" (2017). Proceedings, 1:6, 2504-3900, DOI: 10.3390/proceedings1060665.
Araújo, Edson and Lima, Anderson H. and Lameira, Jerônimo. "Catalysis by solvation rather than the desolvation effect: exploring the catalytic efficiency of SAM-dependent chlorinase". Phys. Chem. Chem. Phys., 19:32, 21350-21356, DOI: 10.1039/C7CP02811C.
2016
(2016) A comparative modeling and molecular docking study on Mycobacterium tuberculosis targets involved in peptidoglycan biosynthesis, Journal of Biomolecular Structure and Dynamics, 34:11, 2399-2417, DOI: 10.1080/07391102.2015.1117397.
Miranda Costa, Kelly; Nahum Alves, Cláudio; Rogério Araújo Silva, José; Lameira, Jerônimo. A Computational Analysis of Indomethacin Derivative as Tubulin Inhibitor: Insights into Development of Chemotherapeutic Agents. Combinatorial Chemistry & High Throughput Screening, Volume 19, Number 6, 2016, pp. 431-436(6), BOOK.
Lockhat, H.A., Silva, J.R.A., Alves, C.N., Govender, T., Lameira, J., Maguire, G.E.M., Sayed, Y. and Kruger, H.G. (2016), Binding Free Energy Calculations of Nine FDA-approved Protease Inhibitors Against HIV-1 Subtype C I36T↑T Containing 100 Amino Acids Per Monomer. Chem Biol Drug Des, 87: 487-498. DOI: 10.1111/cbdd.12690.
Jerônimo Lameira, Ilya Kupchencko, and Arieh Warshel. Enhancing Paradynamics for QM/MM Sampling of Enzymatic Reactions. The Journal of Physical Chemistry B 2016 120 (9), 2155-2164, DOI: 10.1021/acs.jpcb.5b11966.
(2016) Targeting the cell wall of Mycobacterium tuberculosis: a molecular modeling investigation of the interaction of imipenem and meropenem with L,D-transpeptidase 2, Journal of Biomolecular Structure and Dynamics, 34:2, 304-317, DOI: 10.1080/07391102.2015.1029000.
Lima, A. H. and Alves, C. N. and Prasad, R. and Lameira, J. Exploring the origin of the catalytic power and product specificity of SET domain protein methyltransferase. Mol. BioSyst., 12:10, 2980-2983, DOI: 10.1039/C6MB00414H.
2015
Honarparvar, B., Pawar, S.A., Alves, C.N. et al. Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study. J Biomed Sci 22, 15 (2015). DOI: 10.1186/s12929-015-0115-5.
Estarellas, C. [et al.]. Theoretical study on the activation mechanism of AMP-kinase by means of Molecular Dynamics Simulations. A: "BSC Doctoral Symposium (2nd: 2015: Barcelona)". 2nd ed. Barcelona: Barcelona Supercomputing Center, 2015, p. 132-133. BOOK.
Gleiciane Leal Moraes and Guelber Cardoso Gomes and Paulo Robson Monteiro de Sousa and Cláudio Nahum Alves and Thavendran Govender and Hendrik G. Kruger and Glenn E.M. Maguire and Gyanu Lamichhane and Jerônimo Lameira. Structural and functional features of enzymes of Mycobacterium tuberculosis peptidoglycan biosynthesis as targets for drug development. Tuberculosis, 95:2, 95-111 p, 1472-9792, DOI: 10.1016/j.tube.2015.01.006.
Lameira, J., Bora, R.P., Chu, Z.T. and Warshel, A. (2015), Methyltransferases do not work by compression, cratic, or desolvation effects, but by electrostatic preorganization. Proteins, 83: 318-330.DOI: 10.1002/prot.24717.
Silva, José Rogério A. and Govender, Thavendran and Maguire, Glenn E. M. and Kruger, Hendrik G. and Lameira, Jerônimo and Roitberg, Adrian E. and Alves, Cláudio Nahum. Simulating the inhibition reaction of Mycobacterium tuberculosisl L,D-transpeptidase 2 by carbapenems. Chem. Commun., 51:63, 12560-12562, DOI: 10.1039/C5CC03202D.
2014
Lucia de Fatima Sobral Sampaio and Felipe Pantoja Mesquita and Paulo Robson Monteiro de Sousa and Jerônimo Lameira Silva and Claudio Nahum Alves. The melatonin analog 5-MCA-NAT increases endogenous dopamine levels by binding NRH:quinone reductase enzyme in the developing chick retina. International Journal of Developmental Neuroscience, 38, 119-126 p, 0736-5748, DOI: 10.1016/j.ijdevneu.2014.09.001.
Lima, Carlyle Ribeiro and Silva, José Rogério A. and De Tássia Carvalho Cardoso, Érica and Silva, Edilene O. and Lameira, Jerônimo and Do Nascimento, José Luiz Martins and Do Socorro Barros Brasil, Davi and Alves, Cláudio N. Combined Kinetic Studies and Computational Analysis on Kojic Acid Analogs as Tyrosinase Inhibitors. Molecules, 19:7, 9591-9605 p, 1420-3049, DOI: 10.3390/molecules19079591.
da Costa KS, Leal E, dos Santos AM, Lima e Lima AH, Alves CN, Lameira J (2014) Structural Analysis of Viral Infectivity Factor of HIV Type 1 and Its Interaction with A3G, EloC and EloB. PLoS ONE 9(2): e89116. DOI: 10.1371/journal.pone.0089116.
2013
B, Ram Prasad and Plotnikov, Nikolay V. and Lameira, Jeronimo and Warshel, Arieh. Quantitative exploration of the molecular origin of the activation of GTPase. National Academy of Sciences, 110:51, 20509-20514 p, DOI: 10.1073/pnas.1319854110
Ronaldo Correia da Silva and Nelson Alberto N. de Alencar and Cláudio Nahum Alves and Jerônimo Lameira. Analysis of the structure of calpain-10 and its interaction with the protease inhibitor SNJ-1715. Computers in Biology and Medicine, 43:10, 1334-1340 p, 0010-4825, DOI: 10.1016/j.compbiomed.2013.07.010.
Josenaide P. do Nascimento and José Rogério Araújo Silva and Jerônimo Lameira and Cláudio N. Alves. Metal-dependent inhibition of HIV-1 integrase by 5CITEP inhibitor: A theoretical QM/MM approach. Chemical Physics Letters, 583, 175-179 p, 0009-2614, DOI: 10.1016/j.cplett.2013.08.006.
Sousa, P.R.M., de Alencar, N.A.N., Lima, A.H., Lameira, J. and Alves, C.N. (2013), Protein–Ligand Interaction Study of CpOGA in Complex with GlcNAcstatin. Chemical Biology & Drug Design, 81: 284-290. DOI: 10.1111/cbdd.12078
Reis, Mauro and Alves, Cláudio Nahum and Lameira, Jerônimo and Tuñón, Iñaki and Martí, Sergio and Moliner, Vicent. The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach. Phys. Chem. Chem. Phys., 15:11, 3772-3785, DOI: 10.1039/C3CP43968B.
de Farias Silva, Natália and Lameira, Jerônimo and Alves, Cláudio Nahum and Martí, Sergio. Computational study of the mechanism of half-reactions in class 1A dihydroorotate dehydrogenase from Trypanosoma cruzi. Phys. Chem. Chem. Phys., 15:43, 18863-18871, DOI: 10.1039/C3CP52692E.
2012
Nelson Alberto N. de Alencar, Paulo Robson M. Sousa, José Rogério A. Silva, Jerônimo Lameira, Cláudio Nahum Alves, Sergio Martí, and Vicent Moliner. Computational Analysis of Human OGA Structure in Complex with PUGNAc and NAG-Thiazoline Derivatives. Journal of Chemical Information and Modeling 2012 52 (10), 2775-2783, DOI: 10.1021/ci2006005.
Araújo Silva, J.R., Lameira, J. and Alves, C.N. (2012), Insights for design of Trypanosoma cruzi GAPDH inhibitors: A QM/MM MD study of 1,3-bisphospo-D-glyceric acid analogs. Int. J. Quantum Chem., 112: 3398-3402. DOI: 10.1002/qua.24253.
Wagner S. Alencar and Elie Acayanka and Eder C. Lima and Betina Royer and Felipe E. de Souza and Jerônimo Lameira and Cláudio N. Alves. Application of Mangifera indica (mango) seeds as a biosorbent for removal of Victazol Orange 3R dye from aqueous solution and study of the biosorption mechanism. Chemical Engineering Journal, 209, 577-588 p, 1385-8947, DOI: 10.1016/j.cej.2012.08.053.
Lima, A.H., Souza, P.R.M., Alencar, N., Lameira, J., Govender, T., Kruger, H.G., Maguire, G.E.M. and Alves, C.N. (2012), Molecular Modeling of T. rangeli, T. brucei gambiense, and T. evansi Sialidases in Complex with the DANA Inhibitor. Chemical Biology & Drug Design, 80: 114-120. DOI: 10.1111/j.1747-0285.2012.01380.x.
Luis C. Guimarães and Natália F. Silva and Anderson Miyoshi and Maria P.C. Schneider and Artur Silva and Vasco Azevedo and Davi S.B. Brasil and Jerônimo Lameira and Cláudio N. Alves. Structure modeling of a metalloendopeptidase from Corynebacterium pseudotuberculosis. Computers in Biology and Medicine, 42:5, 538-541 p, 0010-4825, DOI: 10.1016/j.compbiomed.2012.01.006.
Moraes, G., Azevedo, V., Costa, M. et al. Homology modeling, molecular dynamics and QM/MM study of the regulatory protein PhoP from Corynebacterium pseudotuberculosis . J Mol Model 18, 1219–1227 (2012). DOI: 10.1007/s00894-011-1145-x.
Lima, A.H., Lameira, J. & Alves, C.N. Protein–ligand interaction of T. cruzi trans-sialidase inhibitors: a docking and QM/MM MD study. Struct Chem 23, 147–152 (2012). DOI: 10.1007/s11224-011-9854-4.
Priscila Bessa Santana , Rubens Ghilardi Junior , Claudio Nahum Alves , Jeronimo Lameira Silva , John Anthony McCulloch , Maria Paula Cruz Schneider and Artur da Costa da Silva. Diversity and three-dimensional structures of the alpha Mcr of the methanogenic Archaea from the anoxic region of Tucuruí Lake, in Eastern Brazilian Amazonia. Genetics and Molecular Biology, 35, 1, 126-133 (2012), BOOK.
2011
Agnaldo Silva Carneiro and Jerônimo Lameira and Cláudio Nahum Alves. A theoretical study of the molecular mechanism of the GAPDH Trypanosoma cruzi enzyme involving iodoacetate inhibitor. Chemical Physics Letters, 514:4, 336-340 p, 0009-2614, DOI: 10.1016/j.cplett.2011.08.051
de Farias Silva, N., Lameira, J. & Alves, C.N. Computational analysis of aspartic protease plasmepsin II complexed with EH58 inhibitor: a QM/MM MD study. J Mol Model 17, 2631–2638 (2011). DOI: 10.1007/s00894-011-0963-1.
Natália de Farias Silva and Jerônimo Lameira and Cláudio Nahum Alves. A quantum mechanical/molecular mechanical study of the aspartic protease plasmepsin IV complexed with allophenylnorstatine-based inhibitor. Chemical Physics Letters, 509:4, 169-174 p, 0009-2614, DOI: 10.1016/j.cplett.2011.04.085.
2010
Silva, J.R.A., Lameira, J., Santana, P.P.B., Silva, A., Schneider, M.P.C. and Alves, C.N. (2010), Homology modeling and molecular dynamics simulation of an alpha methyl coenzyme M reductase from methanogenic archea. Int. J. Quantum Chem., 110: 2067-2075. DOI: 10.1002/qua.22607.
Jeronimo Lameira, Cláudio Nahum Alves, Vicent Moliner, Sergio Martí, Raquel Castillo, and Iñaki Tuñón. Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation of Wild-Type and Seven Mutants of CpNagJ in Complex with PUGNAc. The Journal of Physical Chemistry B 2010 114 (20), 7029-7036, DOI: 10.1021/jp9115673.
Jeronimo Lameira, Cláudio Nahum Alves, Vicent Moliner, Sergio Martí, Natalia Kanaan, and Iñaki Tuñón. A Quantum Mechanics/Molecular Mechanics Study of the Protein−Ligand Interaction of Two Potent Inhibitors of Human O-GlcNAcase: PUGNAc and NAG-Thiazoline. The Journal of Physical Chemistry B 2010 114 (5), 2090-2090, DOI: 10.1021/jp912010a.
2008
Jeronimo Lameira, Cláudio Nahum Alves, Vicent Moliner, Sergio Martí, Natalia Kanaan, and Iñaki Tuñón. A Quantum Mechanics/Molecular Mechanics Study of the Protein−Ligand Interaction of Two Potent Inhibitors of Human O-GlcNAcase: PUGNAc and NAG-Thiazoline. The Journal of Physical Chemistry B 2008 112 (45), 14260-14266, DOI: 10.1021/jp804626j.
J. Lameira and C.N. Alves and L.S. Santos and A.S. Santos and R.H. de Almeida Santos and J. Souza and C.C. Silva and A.B.F. da Silva. A combined X-ray and theoretical study of flavonoid compounds with anti-inflammatory activity. Journal of Molecular Structure: THEOCHEM, 862:1, 16-20 p, 0166-1280, DOI: 10.1016/j.theochem.2008.04.029.
2007
A.K. Calgarotto and S. Miotto and K.M. Honório and A.B.F. da Silva and S. Marangoni and J.L. Silva and M. Comar and K.M.T. Oliveira and S.L. da Silva. A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical. Journal of Molecular Structure: THEOCHEM, 808:1, 25-33 p, 0166-1280, DOI: 10.1016/j.theochem.2006.12.031.
Mauro Reis and Benedito Lobato and Jeronimo Lameira and Alberdan S. Santos and Cláudio N. Alves. A theoretical study of phenolic compounds with antioxidant properties. European Journal of Medicinal Chemistry, 42:4, 440-446, 0223-5234, DOI: 10.1016/j.ejmech.2006.11.008.
2006
J. Lameira and I.G. Medeiros and M. Reis and A.S. Santos and C.N. Alves. Structure–activity relationship study of flavone compounds with anti-HIV-1 integrase activity: A density functional theory study. Bioorganic & Medicinal Chemistry, 14:21, 0968-0896, DOI: 10.1016/j.bmc.2006.07.005.
J. Lameira and C.N. Alves and V. Moliner and E. Silla. A density functional study of flavonoid compounds with anti-HIV activity. European Journal of Medicinal Chemistry, 41:5, 616-623 p, 0223-5234, DOI: 10.1016/j.ejmech.2006.01.008.
