Publications by authors named "Valder N Freire"

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Quantum biochemistry characterization of representative conformations of the sex hormone-binding globulin monomer bound to estradiol, dihydrotestosterone and testosterone.
André Hadad, Victor L B França, Jackson L Amaral, Hernandes F Carvalho, Valder N Freire

J Steroid Biochem Mol Biol· January 2026

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Unveiling fructose and glucose binding to human serum albumin: fluorescence measurements and docking, molecular dynamics and quantum biochemistry computations.
André Hadad, Victor L B França, Marcos William Crisostomo, Kellen Brunaldi, Hernandes F Carvalho, Valder N Freire

J Biomol Struct Dyn· August 2025

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Red-shifted optical absorption induced by donor-acceptor-donor π-extended dibenzalacetone derivatives.
Vitória M R Vasconcelos, Bruna B Postacchini, Hélcio S Dos Santos, Francisco F M Cajazeiras, Valder N Freire

RSC Adv· January 2025

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Quantum biochemistry description of PI3Kα enzyme bound to selective inhibitors.
Francisca Joseli Freitas de Sousa, Francisca Fernanda Nunes Azevedo, Francisco Lucas Santos de Oliveira, Jaqueline Vieira Carletti, Valder Nogueira Freire

J Biomol Struct Dyn· November 2024

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Shedding light on cancer immunology at the molecular level: A quantum biochemistry study of representative PD-1/PD-L1 conformations.
Victor L B França, Jackson L Amaral, Cláudia do Ó Pessoa, Hernandes F Carvalho, Valder N Freire

Biochem Biophys Res Commun· November 2024

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Alzheimer's Disease Immunotherapy and Mimetic Peptide Design for Drug Development: Mutation Screening, Molecular Dynamics, and a Quantum Biochemistry Approach Focusing on Aducanumab::Aβ2-7 Binding Affinity.
Victor L B França, Eveline M Bezerra, Roner F da Costa, Hernandes F Carvalho, Valder N Freire

ACS Chem Neurosci· October 2024

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approach revealed the membrane receptor PHO36 as a new target for synthetic anticandidal peptides.
Francisco Es Lopes, Pedro Fn Souza, Daiane Ms Brito, Felipe P Mesquita, Raquel C Montenegro, Valder N Freire

Future Microbiol· October 2024

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Tofacitinib and peficitinib inhibitors of Janus kinase for autoimmune disease treatment: a quantum biochemistry approach.
Jackson L Amaral, Naiara C Lucredi, Victor L B França, Samuel J M Santos, Francisco F Maia, Valder N Freire

Phys Chem Chem Phys· May 2024

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Noncovalent binding of carbofuran to acetylcholinesterase from Homo sapiens, Danio rerio, Apis mellifera and Caenorhabditis elegans: Homology modelling, molecular docking and dynamics, and quantum biochemistry description.
João P C Veras, Victor L B França, Hernandes F Carvalho, Valder N Freire

Chem Biol Interact· January 2024

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description of the adsorption of cell signaling pathway proteins ovalbumin, glutathione, LC3, TLR4, ASC PYCARD, PI3K and NF-Kβ on 7.0 nm gold nanoparticles: obtaining their Lennard-Jones-like potentials through docking and molecular mechanics.
Monique M Coelho, Eveline M Bezerra, Roner F da Costa, Érika C de Alvarenga, Valder N Freire

RSC Adv· November 2023

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Pharmacokinetic Profile Evaluation of Novel Combretastatin Derivative, LASSBio-1920, as a Promising Colorectal Anticancer Agent.
Celina de Jesus Guimarães, Teiliane Rodrigues Carneiro, Marisa Jadna Silva Frederico, Guilherme G C de Carvalho, Matthew Little, Valder N Freire

Pharmaceutics· April 2023

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analysis of from different animal species provides new insights into SARS-CoV-2 species spillover.
Felipe Pantoja Mesquita, Pedro Filho Noronha Souza, Dyane Rocha Aragão, Expedito Maia Diógenes, Emerson Lucena da Silva, Valder Nogueira Freire

Future Virol· March 2023

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Quantum biochemistry, molecular docking, and dynamics simulation revealed synthetic peptides induced conformational changes affecting the topology of the catalytic site of SARS-CoV-2 main protease.
Jackson L Amaral, Jose T A Oliveira, Francisco E S Lopes, Cleverson D T Freitas, Valder N Freire

J Biomol Struct Dyn· December 2022

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Characterization of the binding interaction between atrazine and human serum albumin: Fluorescence spectroscopy, molecular dynamics and quantum biochemistry.
Victor L B França, Jackson L Amaral, Yandara A Martins, Ewerton W S Caetano, Kellen Brunaldi, Valder N Freire

Chem Biol Interact· October 2022

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Losartan as an ACE inhibitor: a description of the mechanism of action through quantum biochemistry.
Eveline M Bezerra, Érika C de Alvarenga, Ricardo P Dos Santos, Jeanlex S de Sousa, Umberto L Fulco, Valder N Freire

RSC Adv· October 2022

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Quantum Biochemistry and MM-PBSA Description of the ZIKV NS2B-NS3 Protease: Insights into the Binding Interactions beyond the Catalytic Triad Pocket.
Valdir Ferreira de Paula Junior, Mauricio Fraga van Tilburg, Pablo Abreu Morais, Francisco Franciné Maia Júnior, Elza Gadelha Lima, Valder Nogueira Freire

Int J Mol Sci· September 2022

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ACE2-derived peptides interact with the RBD domain of SARS-CoV-2 spike glycoprotein, disrupting the interaction with the human ACE2 receptor.
Pedro F N Souza, Jackson L Amaral, Leandro P Bezerra, Francisco E S Lopes, Valder N Freire

J Biomol Struct Dyn· August 2022

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Gallic acid leads to cell death of by the apoptosis mechanism.
Ito Liberato, Leticia A Lino, Juan Kd Souza, João Ba Neto, Livia Gav Sá, Valder N Freire

Future Microbiol· May 2022

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Insulin degludec and glutamine dipeptide modify glucose homeostasis and liver metabolism in diabetic mice undergoing insulin-induced hypoglycemia.
Camila Bataglini, Isabela Ramos Mariano, Silvia Carla Ferreira Azevedo, Valder Nogueira Freire, Maria Raquel Marcal Natali

J Appl Biomed· December 2021

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Computational approach, scanning electron and fluorescence microscopies revealed insights into the action mechanisms of anticandidal peptide Mo-CBP-PepIII.
Jackson L Amaral, Pedro F N Souza, Jose T A Oliveira, Valder N Freire, Daniele O B Sousa

Life Sci· September 2021

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Molecular insight on the binding of stevia glycosides to bovine serum albumin.
Luciana M Sergio, Yandara A Martins, Jackson L Amaral, Victor L B França, Camila F de Freitas, Valder N Freire

Chem Biol Interact· August 2021

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Graphene: Insights on Biological, Radiochemical and Ecotoxicological Aspects.
Xing Haixia, Aline Oliveira da Silva de Barros, Francisco do Vale Chaves E Mello, Fan Sozzi-Guo, Cristina Müller, Valder Nogueira Freire

J Biomed Nanotechnol· January 2021

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Quantum biochemistry in cancer immunotherapy: New insights about CTLA-4/ipilimumab and design of ipilimumab-derived peptides with high potential in cancer treatment.
Jackson L Amaral, Samuel J M Santos, Pedro F N Souza, Pablo A de Morais, F F Maia, Valder N Freire

Mol Immunol· November 2020

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Crystal structure and specific location of a germin-like protein with proteolytic activity from Thevetia peruviana.
Wallace T Cruz, Eduardo H S Bezerra, Márcio V Ramos, Bruno A M Rocha, Maria C Medina, Valder N Freire

Plant Sci· September 2020

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Antitumor Potential of the Isoflavonoids (+)- and (-)-2,3,9-Trimethoxypterocarpan: Mechanism-of-Action Studies.
Kaio Farias, Roner F da Costa, Assuero S Meira, Jairo Diniz-Filho, Eveline M Bezerra, Valder N Freire

ACS Med Chem Lett· June 2020

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