C. Alves

发表

Binding Free Energy Calculations of Nine FDA‐approved Protease Inhibitors Against HIV‐1 Subtype C I36T↑T Containing 100 Amino Acids Per Monomer

T. Govender, G. E. Maguire, H. G. Kruger, 2016, Chemical biology & drug design.

Targeting the cell wall of Mycobacterium tuberculosis: a molecular modeling investigation of the interaction of imipenem and meropenem with L,D-transpeptidase 2

W. Bishai, G. Lamichhane, T. Govender, 2016, Journal of biomolecular structure & dynamics.

A comparative modeling and molecular docking study on Mycobacterium tuberculosis targets involved in peptidoglycan biosynthesis

G. Lamichhane, B. Honarparvar, T. Govender, 2016, Journal of biomolecular structure & dynamics.

Structural and functional features of enzymes of Mycobacterium tuberculosis peptidoglycan biosynthesis as targets for drug development.

G. Lamichhane, T. Govender, H. G. Kruger, 2015, Tuberculosis.

Computed insight into a peptide inhibitor preventing the induced fit mechanism of MurA enzyme from Pseudomonas aeruginosa

C. Alves, J. Lameira, A. Lima, 2017, Chemical biology & drug design.

Assessment of surface water in two Amazonian rivers impacted by industrial wastewater, Barcarena City, Pará State (Brazil)

C. Alves, M. Lima, E. Santos, 2011 .

Diversity and three-dimensional structures of the alpha Mcr of the methanogenic Archaea from the anoxic region of Tucuruí Lake, in Eastern Brazilian Amazonia

C. Alves, J. A. McCulloch, M. Schneider, 2012, Genetics and molecular biology.

Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study

B. Honarparvar, T. Govender, G. E. Maguire, 2015, Journal of Biomedical Science.

A quantum mechanic/molecular mechanic study of the wild-type and N155S mutant HIV-1 integrase complexed with diketo acid.

I. Tuñón, E. Silla, R. Castillo, 2008, Biophysical journal.

Layered double hydroxide–indomethacin hybrid: A promising biocompatible compound for the treatment of neuroinflammatory diseases

C. Alves, J. Lameira, Paulo Robson Monteiro de Sousa, 2020 .

Computational analyses of interactions between ALK-5 and bioactive ligands: insights for the design of potential anticancer agents

C. Alves, J. Lameira, G. C. Gomes, 2018, Journal of biomolecular structure & dynamics.

Inhibition of tyrosinase by 4H‐chromene analogs: Synthesis, kinetic studies, and computational analysis

D. Sriram, J. R. A. Silva, C. Alves, 2017, Chemical biology & drug design.

Molecular Modeling of T. rangeli, T. brucei gambiense, and T. evansi Sialidases in Complex with the DANA Inhibitor

T. Govender, G. E. Maguire, H. G. Kruger, 2012, Chemical biology & drug design.

Virtual Screening and Molecular Dynamics Simulations from a Bank of Molecules of the Amazon Region Against Functional NS3-4A Protease-Helicase Enzyme of Hepatitis C Virus

C. Alves, F. A. Molfetta, Alan Sena Pinheiro, 2015, Applied Biochemistry and Biotechnology.

Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins

Joel S. Freundlich, G. Lamichhane, Pankaj Kumar, 2017, Antimicrobial Agents and Chemotherapy.

Impact evaluation of a pisciculture in the Tucuruí reservoir (Pará, Brazil) using a two-dimensional water quality model

R. Neves, C. Alves, D. Brito, 2013 .

METAL FRACTIONATION ON FLUVIAL BED SEDIMENTS AND THE RISK ASSESSMENT FOR WATER SUPPLY (AMAZONIAN - BRAZIL)

A. S. Mendes, C. Alves, A. Ribeiro, 2014 .

Molecular description of α‐keto‐based inhibitors of cruzain with activity against Chagas disease combining 3D‐QSAR studies and molecular dynamics

C. Alves, M. O. Almeida, K. M. Honorio, 2018, Chemical biology & drug design.

Assessment of the PETase conformational changes induced by poly(ethylene terephthalate) binding

V. Moliner, C. Alves, J. Lameira, 2021, Proteins.

Isolation, X-ray crystal structure and theoretical calculations of the new compound 8-Eepicordatin and identification of others terpenes and steroids from the bark and leaves of Croton palanostigma Klotzsch

V. Moliner, C. Alves, R. Llusar, 2010 .

Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants

C. Alves, J. Lameira, Clauber Henrique Souza da Costa, 2022, Scientific reports.

Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission

D. Ramjugernath, J. R. A. Silva, C. Alves, 2018 .

A quantum chemical and statistical study of biflavonoid compounds with anti-HIV activity

J. C. Pinheiro, C. Alves, A. Camargo, 1999 .

Structure and analgesic properties of layered double hydroxides intercalated with low amounts of ibuprofen

Robson P. de Sousa, C. Alves, J. Lameira, 2017 .

A combined X-ray and theoretical study of flavonoid compounds with anti-inflammatory activity

C. Alves, J. Lameira, L. Santos, 2008 .

Evaluating the Performance of a Non-Bonded Cu2+ Model Including Jahn−Teller Effect into the Binding of Tyrosinase Inhibitors

H. G. Kruger, J. R. A. Silva, C. Alves, 2020, International journal of molecular sciences.

Homology modeling, molecular dynamics and QM/MM study of the regulatory protein PhoP from Corynebacterium pseudotuberculosis

A. Miyoshi, V. Azevedo, C. Alves, 2012, Journal of Molecular Modeling.

A study on the anti-HIV activity of biflavonoid compounds by using quantum chemical and chemometric methods

C. Alves, K. M. Honorio, F. A. Molfetta, 2004 .

Variability in essential oil composition of Piper dilatatum L.C. Rich

E. Guimarães, E. Andrade, C. Alves, 2011 .

Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants

C. Alves, J. Lameira, Camila Auad Beltrão de Freitas, 2022, Scientific Reports.

Chemical Composition of the Bragantino Estuary Mangrove Sediment (PA) - Brazil

C. Alves, J. Berrêdo, P. W. S. Filho, 2015 .

Azo-hydrazo conversion via [1,5]-hydrogen shifts. A combined experimental and theoretical study

L. Domingo, C. Alves, O. A. S. Romero, 2012 .

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

C. Alves, J. Lameira, E. Lima, 2012 .

Application of Aqai Stalks as Biosorbents for the Removal of the Dye Procion Blue MX-R from Aqueous Solution

C. Alves, E. D. da Silva, E. Lima, 2012 .

Mercury levels assessment in hair of riverside inhabitants of the Tapajós River, Pará State, Amazon, Brazil: fish consumption as a possible route of exposure.

R. Neves, C. Alves, I. Jesus, 2015, Journal of trace elements in medicine and biology : organ of the Society for Minerals and Trace Elements.

Investigation of conventional and non-conventional hydrogen bonds: a comparison of fluorine-substituted and non-fluorine substituted compounds

D. Ramjugernath, J. R. A. Silva, C. Alves, 2017, Monatshefte für Chemie - Chemical Monthly.

Computational Analysis of Triazole-Based Kojic Acid Analogs as Tyrosinase Inhibitors by Molecular Dynamics and Free Energy Calculations

J. R. A. Silva, C. Alves, L. Martins, 2022, Molecules.

Mercury Speciation in Hair of Children in Three Communities of the Amazon, Brazil

C. Alves, M. Lima, E. Santos, 2014, BioMed research international.

Host-Guest Inclusion Complexes of Natural Products and Nanosystems: Applications in the Development of Repellents

C. Alves, J. Lameira, K. S. da Costa, 2022, Molecules.

Acetylcholinesterase Inhibitory Activity and Molecular Docking Study of 1‐Nitro‐2‐Phenylethane, the Main Constituent of Aniba canelilla Essential Oil

E. Andrade, J. D. da Silva, J. R. A. Silva, 2014, Chemical biology & drug design.

Assessment of host–guest molecular encapsulation of eugenol using β-cyclodextrin

J. R. A. Silva, C. Alves, J. Lameira, 2023, Frontiers in Chemistry.

Simulating the inhibition reaction of Mycobacterium tuberculosis L,D-transpeptidase 2 by carbapenems.

A. Roitberg, T. Govender, G. E. Maguire, 2015, Chemical communications.

Experimental and theoretical approaches for the development of 4H-Chromene derivatives as inhibitors of tyrosinase

J. R. A. Silva, C. Alves, J. Lameira, 2021 .

A study of neolignan compounds with biological activity against Paracoccidioides brasiliensis by using quantum chemical and chemometric methods

C. Alves, F. A. Molfetta, A. Camargo, 2003 .

Theoretical study on the stereochemistry of intramolecular hetero Diels–Alder cycloaddition reactions of azoalkenes

C. Alves, A. B. Silva, O. Romero, 2003 .

Biotransformation of chalcones by the endophytic fungus Aspergillus flavus isolated from Paspalum maritimum trin

C. Alves, F. M. Nunes, G. Guilhon, 2011 .

A DFT study of the Diels–Alder reaction between methyl acrolein derivatives and cyclopentadiene. Understanding the effects of Lewis acids catalysts based on sulfur containing boron heterocycles

L. Domingo, J. Andrés, C. Alves, 2006 .

Unraveling the Addition-Elimination Mechanism of EPSP Synthase through Computer Modeling.

C. Alves, J. Lameira, A. Lima, 2017, The journal of physical chemistry. B.

A density functional study of flavonoid compounds with anti-HIV activity.

E. Silla, V. Moliner, C. Alves, 2006, European journal of medicinal chemistry.

Using LC and Hierarchical Cluster Analysis as Tools to Distinguish Timbó Collections into Two Deguelia Species: A Contribution to Chemotaxonomy

C. Alves, G. Guilhon, A. Arruda, 2016, Molecules.

Antifungal Activity and Computational Study of Constituents from Piper divaricatum Essential Oil against Fusarium Infection in Black Pepper

J. D. da Silva, J. R. A. Silva, C. Alves, 2014, Molecules.

Characterization of the Fruit Pulp of Camu-Camu (Myrciaria dubia) of Seven Different Genotypes and Their Rankings Using Statistical Methods PCA and HCA

C. Alves, M. Lima, R. C. Müller, 2016 .

Biotransformation of sucrose into 5-hydroxy-2-hydroxymethyl-γ-pirone by Aspergillus flavus.

C. Alves, A. Santos, M. Sarquis, 2010, Anais da Academia Brasileira de Ciencias.

Combined Kinetic Studies and Computational Analysis on Kojic Acid Analogs as Tyrosinase Inhibitors

J. R. A. Silva, C. Alves, J. Lameira, 2014, Molecules.

Homology modeling and molecular dynamics simulation of an alpha methyl coenzyme M reductase from methanogenic archea

J. R. A. Silva, C. Alves, J. Lameira, 2010 .

Microbiological Analysis of Surface Waters in the "Igarapé Esperança" water Resources in Benjamin Constant-Am

Bruno Reinert de Abreu, C. Alves, Heleny Ponciano Alves, 2019, International Journal of Advanced Engineering Research and Science.

Enzyme molecular mechanism as a starting point to design new inhibitors: a theoretical study of O-GlcNAcase.

I. Tuñón, V. Moliner, C. Alves, 2011, The journal of physical chemistry. B.

Protein–ligand interaction of T. cruzi trans-sialidase inhibitors: a docking and QM/MM MD study

C. Alves, J. Lameira, A. Lima, 2012, Structural Chemistry.

Density functional theory study of metabolic derivatives of the oxidation of paracetamol

C. Alves, A. B. Silva, R. Borges, 2006 .

Metabolic Processing of Selenium-Based Bioisosteres of meso-Diaminopimelic Acid in Live Bacteria

J. R. A. Silva, C. Alves, J. Lameira, 2022, Biochemistry.

Catalytic Mechanism of L, D-Transpeptidase 2 from Mycobacterium tuberculosis Described by a Computational Approach: Insights for the Design of New Antibiotics Drugs

Adrian E. Roitberg, José Rogério A. Silva, Cláudio Nahum Alves, 2014, J. Chem. Inf. Model..

Structural Analysis of Viral Infectivity Factor of HIV Type 1 and Its Interaction with A3G, EloC and EloB

Cláudio Nahum Alves, Jerônimo Lameira, C. Alves, 2014, PloS one.

Exploring chloride selectivity and halogenase regioselectivity of the SalL enzyme through QM/MM modeling.

Cláudio Nahum Alves, Jeronimo Lameira, Paulo Ricardo Moraes Pereira, 2020, Journal of chemical information and modeling.

Structure-activity relationship study of flavone compounds with anti-HIV-1 integrase activity: a density functional theory study.

C. Alves, J. Lameira, J Lameira, 2006, Bioorganic & medicinal chemistry.

A theoretical study of phenolic compounds with antioxidant properties.

C. Alves, J. Lameira, A. Santos, 2007, European journal of medicinal chemistry.

A semi-empirical study of biflavonoid compounds with biological activity against tuberculosis

J. C. Dias, C. Alves, M. Rebelo, 2004 .

Computational insights for predicting the binding and selectivity of peptidomimetic plasmepsin IV inhibitors against cathepsin D

T. Naicker, C. Alves, J. Lameira, 2022, RSC advances.

Synthesis, Characterization and in vitro Anticancer Activity of Novel 8,4’-Oxyneolignan Analogues

C. K. Andrade, C. Alves, L. Santos, 2017 .

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

C. Alves, J. Lameira, J. M. Galúcio, 2019, ACS omega.

Determination of total mercury in workers' urine in gold shops of Itaituba, Pará State, Brazil.

E. S. D. de Oliveira, C. Alves, J. Sarkis, 2000, The Science of the total environment.

Evaluation of total mercury concentrations in fish consumed in the municipality of Itaituba, Tapajós River Basin, Pará, Brazil.

C. Alves, E S Brabo, C N Alves, 2000, The Science of the total environment.

NRH: Quinone Reductase activity results in the accumulation of endogenous dopamine in the retina

Paulo Robson M. Sousa, C. Alves, J. L. Silva, 2015 .

Three-dimensional model for analysis of spatial and temporal patterns of phytoplankton in Tucuruí reservoir, Pará, Brazil

Marcelo de Oliveira Lima, Ramiro Neves, David Brito, 2013 .

Essential oil composition of Croton palanostigma Klotzsch from north Brazil

E. Andrade, C. Alves, J. Maia, 2009 .

Insights into the mechanism of oxidation of dihydroorotate to orotate catalysed by human class 2 dihydroorotate dehydrogenase: a QM/MM free energy study.

A. Roitberg, J. R. A. Silva, C. Alves, 2015, Physical chemistry chemical physics : PCCP.

A QM/MM free energy study of the oxidation mechanism of dihydroorotate dehydrogenase (class 1A) from Lactococcus lactis.

A. Roitberg, J. R. A. Silva, C. Alves, 2015, The journal of physical chemistry. B.

The melatonin analog 5-MCA-NAT increases endogenous dopamine levels by binding NRH:quinone reductase enzyme in the developing chick retina

Paulo Robson M. Sousa, C. Alves, J. L. Silva, 2014, International Journal of Developmental Neuroscience.

Structure of Dihydrochalcones and Related Derivatives and Their Scavenging and Antioxidant Activity against Oxygen and Nitrogen Radical Species

C. Alves, L. G. M. de Macedo, R. Borges, 2011, Molecules.

A DFT study for paracetamol and 3,5-disubstituted analogues

C. Alves, R. Borges, J. Diniz, 2004 .

A density functional theory study on the molecular mechanism of the cycloaddition between (E)-methyl cinnamate and cyclopentadiene

C. Alves, J. Gruber, F. Camilo, 2004 .

Computational study of the mechanism of half-reactions in class 1A dihydroorotate dehydrogenase from Trypanosoma cruzi.

C. Alves, J. Lameira, S. Martí, 2013, Physical chemistry chemical physics : PCCP.

The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach.

I. Tuñón, V. Moliner, C. Alves, 2013, Physical chemistry chemical physics : PCCP.

THE OCCURRENCE OF HEAVY METALS IN A WATER RESOURCE IN BENJAMIN CONSTANT, AMAZONAS, BRAZIL / THE OCCURRENCE OF HEAVY METALS IN A WATER RESOURCE IN BENJAMIN CONSTANT, AMAZONAS, BRAZIL

C. Alves, Tales Vinícius Marinho de Araújo, Flávia Karenine da Silva Ponte, 2021 .

Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis Active

C. Alves, L. Santos, L. P. Barroso, 1998 .

Exploring the origin of the catalytic power and product specificity of SET domain protein methyltransferase.

C. Alves, J. Lameira, A. Lima, 2016, Molecular bioSystems.

Analysis of the structure of calpain-10 and its interaction with the protease inhibitor SNJ-1715

Cláudio Nahum Alves, Jerônimo Lameira, Nelson Alberto N. de Alencar, 2013, Comput. Biol. Medicine.

Synthesis, antimalarial activity in vitro, and docking studies of novel neolignan derivatives

C. Alves, A. Krettli, C. Daniel-Ribeiro, 2017, Chemical biology & drug design.

Design and Evaluation of 4‐Aminophenol and Salicylate Derivatives as Free‐Radical Scavenger

C. Alves, A. D. da Silva, M. Monteiro, 2013, Chemical biology & drug design.

Computational study of conformational changes in human 3-hydroxy-3-methylglutaryl coenzyme reductase induced by substrate binding

C. Alves, J. Lameira, A. Lima, 2019, Journal of biomolecular structure & dynamics.

Exploring the Catalytic Mechanism of the RNA Cap Modification by nsp16-nsp10 Complex of SARS-CoV-2 through a QM/MM Approach

V. Moliner, J. R. A. Silva, C. Alves, 2021, International journal of molecular sciences.

Structural, energetic and lipophilic analysis of SARS-CoV-2 non-structural protein 9 (NSP9)

William J. Zamora, C. Alves, J. Lameira, 2021, Scientific Reports.

Levels of As, Cd, Pb and Hg found in the hair from people living in Altamira, Pará, Brazil: environmental implications in the Belo Monte area

C. Alves, A. Santos, S. Pereira, 2009 .

Caffeic Acid-Zinc Basic Salt/Chitosan Nanohybrid Possesses Controlled Release Properties and Exhibits In Vivo Anti-Inflammatory Activities

C. Alves, J. Lameira, M. Monteiro, 2023, Molecules.

Computational Investigation of Bisphosphate Inhibitors of 3-Deoxy-d-manno-octulosonate 8-phosphate Synthase

Cláudio Nahum Alves, Jerônimo Lameira, Jéssica de Oliveira Araújo, 2019, Molecules.

Theoretical and experimental study of aparisthman: A natural product with anti-ulcer activity

C. Alves, Davi S. B. Brasil, A. H. Müller, 2006 .

Unraveling the conformational dynamics of glycerol 3-phosphate dehydrogenase, a nicotinamide adenine dinucleotide-dependent enzyme of Leishmania mexicana

C. Alves, J. Lameira, G. C. Gomes, 2020, Journal of biomolecular structure & dynamics.

QM/MM Study of the Fosfomycin Resistance Mechanism Involving FosB Enzyme

J. R. A. Silva, C. Alves, J. Lameira, 2021, ACS omega.

A quantum mechanics/molecular mechanics study of the protein-ligand interaction for inhibitors of HIV-1 integrase.

Sergio Martí, Vicent Moliner, Raquel Castillo, 2007, Chemistry.

Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study

B. Honarparvar, T. Govender, G. E. Maguire, 2015, Journal of Biomedical Science.

Metal-dependent inhibition of HIV-1 integrase by 5CITEP inhibitor: A theoretical QM/MM approach

J. R. A. Silva, C. Alves, J. Lameira, 2013 .

Protein–Ligand Interaction Study of CpOGA in Complex with GlcNAcstatin

Paulo Robson M. Sousa, C. Alves, J. Lameira, 2013, Chemical biology & drug design.

Insights for design of Trypanosoma cruzi GAPDH inhibitors: A QM/MM MD study of 1,3‐bisphospo‐D‐glyceric acid analogs

J. R. A. Silva, C. Alves, J. Lameira, 2012 .

Computational Analysis of Human OGA Structure in Complex with PUGNAc and NAG-Thiazoline Derivatives

José Rogério A. Silva, Cláudio Nahum Alves, Jerônimo Lameira, 2012, J. Chem. Inf. Model..

A theoretical study of the molecular mechanism of the GAPDH Trypanosoma cruzi enzyme involving iodoacetate inhibitor

C. Alves, J. Lameira, A. S. Carneiro, 2011 .

A quantum mechanical/molecular mechanical study of the aspartic protease plasmepsin IV complexed with allophenylnorstatine-based inhibitor

C. Alves, J. Lameira, N. F. Silva, 2011 .

Computational analysis of aspartic protease plasmepsin II complexed with EH58 inhibitor: a QM/MM MD study

C. Alves, J. Lameira, Natália Farias Silva, 2011, Journal of molecular modeling.

A Structure-Activity Relationship (SAR) Study of Neolignan Compounds with Anti-schistosomiasis Activity

C. Alves, A. Camargo, L. Barata, 2002 .

Synthesis, 2D-NMR and molecular modelling studies of pentacycloundecane lactam-peptides and peptoids as potential HIV-1 wild type C-SA protease inhibitors

Katja Petzold, M. Soliman, Maya M. Makatini, 2013, Journal of enzyme inhibition and medicinal chemistry.

A QM/MM study of the reaction mechanism for the 3′-processing step catalyzed by HIV-1 integrase

I. Tuñón, E. Silla, V. Moliner, 2009 .

Investigation of the target-site resistance of EPSP synthase mutants P106T and T102I/P106S against glyphosate

C. Alves, J. Lameira, A. Lima, 2020, RSC advances.

PROPOSAL FOR LANDSCAPE AND URBANISTIC IMPLANTATION AS REVITALIZATION AND ENVIRONMENTAL IMPROVEMENT OF SUFRAMA'S CHAIR IN INDUSTRIAL POLE OF MANAUS

Jandecy Cabral Leite, Cláudio Nahum Alves, Francinete de Menezes da Silva, 2017 .

A QSAR study of 8.O.4′-neolignans with antifungal activity

C. Alves, L. Santos, R. Borges, 2004 .

A theoretical study of salicylate oxidation for ADME prediction

C. Alves, J. Nascimento, R. Borges, 2011, Medicinal Chemistry Research.

Structure modeling of a metalloendopeptidase from Corynebacterium pseudotuberculosis

Cláudio Nahum Alves, Vasco Azevedo, Jerônimo Lameira, 2012, Comput. Biol. Medicine.

Mercury levels assessment in hair of riverside inhabitants of the Tapajós River, Pará State, Amazon, Brazil: fish consumption as a possible route of exposure.

R. Neves, C. Alves, I. Jesus, 2015, Journal of trace elements in medicine and biology : organ of the Society for Minerals and Trace Elements.