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Current Issue vol. 36, No. 6, 2025

 

Leishmaniasis is considered a complex disease. We propose a pipeline to select and analyze candidate targets and design inhibitory peptides, aiming to discover and investigate their binding sites for neglected tropical diseases based on the physicochemical properties of both peptides and target candidates. Details are presented in the Full Paper A Pipeline Protocol to Design, Discover and Research on Peptide Inhibitors and Binding Sites for Neglected Tropical Diseases: An Application for Leishmaniasis by Natanael E. S. M. T. Bonfim, Simone Q. Pantaleão, Leonardo A. Calderon, Eric Allison Philot and Ana Ligia Scott on e-20250023.


Cover Article
J. Braz. Chem. Soc. 2025, 36(6), e-20250023, 1-18

A Pipeline Protocol to Design, Discover and Research on Peptide Inhibitors and Binding Sites for Neglected Tropical Diseases: An Application for Leishmaniasis

Natanael E. S. M. T. Bonfim ; Simone Q. Pantaleão ; Leonardo A. Calderon ; Eric Allison Philot ; Ana Ligia Scott

How to cite this article

Leishmaniasis is considered a complex disease. We propose a pipeline to select and analyze candidate targets and design inhibitory peptides, aiming to discover and investigate their binding sites for neglected tropical diseases based on the physicochemical properties of both peptides and target candidates. Details are presented in the Full Paper A Pipeline Protocol to Design, Discover and Research on Peptide Inhibitors and Binding Sites for Neglected Tropical Diseases: An Application for Leishmaniasis by Natanael E. S. M. T. Bonfim, Simone Q. Pantaleão, Leonardo A. Calderon, Eric Allison Philot and Ana Ligia Scott on e-20250023.

https://dx.doi.org/10.21577/0103-5053.20250023

Published online: February  6, 2025
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Editorial J. Braz. Chem. Soc. 2025, 36(6), e-20250060, 1-2

The Role of the Journal of the Brazilian Chemical Society (JBCS) in Supporting Young Researchers

Lívia C. R. M. da Frota ; Pedro P. de Castro

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https://dx.doi.org/10.21577/0103-5053.20250060

Total access: 290


Review J. Braz. Chem. Soc. 2025, 36(6), e-20250024, 1-27

White Rot Fungi for Biodegradation of Dyes: Potential for Industrial Uses - A Review

Flávia C. R. Costa ; Fábio S. L. Brito; Maria Júlia R. de Grandi; Juliana F. S. Daniel

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A review of white rot fungi as a promising alternative for the treatment of industrial effluents containing dyes.

https://dx.doi.org/10.21577/0103-5053.20250024

Published online: February 7, 2025

 

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Full Paper J. Braz. Chem. Soc. 2025, 36(6), e-20250013, 1-9

A Portable Method for Plant-Available Potassium Determination in Soil

Gabriel S. Atarão ; Ana B. Viana ; Adrean A. Macedo; Taynara B. Riquiere ; Renan B. Pardinho ; Paula D. Vecchia ;
Valderi L. Dressler

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Potassium is essential for plant growth and productivity, being necessary to control it in soil. Simple, low-cost, and portable methods for available potassium quantification in soil are required for a rapid response to decide on supply correct K doses.

https://dx.doi.org/10.21577/0103-5053.20250013

Published online: January 23, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250017, 1-8

Effects of Simulated Degradation Conditions on the Authentication of Fresh Quail Eggs Using a Miniaturized NIR Spectrometer and DD-SIMCA

Karoline M. Silva; David Douglas S. Fernandes ; Edilene D. T. Moreira ; Fernando G. P. Costa; Wellington S. Lyra ;
Paulo Henrique G. D. Diniz

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A non-destructive, quick analytical method that employs a portable near-infrared (NIR) spectrophotometer and data-driven soft independent modeling of class analogy (DD-SIMCA) for freshness authentication of quail eggs under controlled storage conditions.

https://dx.doi.org/10.21577/0103-5053.20250017

Published online: February 4, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250018, 1-8

Synthesis and Antifungal Activities of Functional Cyclohexa-1,3-dienes via Organocatalyzed Cascade Vinylogous Michael-Cyclization of α,α-Dicyanoalkenes with α,β-Unsaturated Aldehydes

Xiao-Yan Xu; Ling-Feng Cao; Jian-Wu Xie

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An effective domino vinylogous Michael-cyclization has been established for the synthesis of multifunctionalized cyclohexa-1,3-dienes with strong growth inhibition on Fusarium graminearum (F. graminearum).

https://dx.doi.org/10.21577/0103-5053.20250018

Published online: February 4, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250019, 1-8

Mechanochemistry Metal-Free Synthesis and Molecular Modeling Study of 4-Arylamino-1,2-naphthoquinones by Csp2-Csp2 Bond Formation

Edson de O. Lima Filho ; Antônio Sérgio N. de Aguiar ; Leonardo Luiz Borges ; Vitor Francisco Ferreira ;
Fernando de C. da Silva

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This work describes a new, simple, and green solvent- and metal-free method for the C-C bond formation reaction between sodium 1,2-naphthoquinone-4-sulfonate and tertiary anilines via mechanochemistry. Additionally, a computational study was carried out to investigate the mechanism.

https://dx.doi.org/10.21577/0103-5053.20250019

Published online: February 4, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250020, 1-10

Evaluation of the Generation of Acid Contaminants in Small-Scale Ozonators

Roger F. Baldissera ; Francielle Annunziato; Vicente Canalli; Marçal J. R. Pires

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Formation of nitrogen contamination during ozone production in a dielectric barrier discharge (DBD) cell fed with wet air ambient.

https://dx.doi.org/10.21577/0103-5053.20250020

Published online: February 5, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250021, 1-11

Influence of Extraction Time and Circadian Rhythm on the Content, Chemical Composition and Antifungal Activity of the Essential Oils from Callistemon viminalis (Myrtaceae) Leaves

Chrystiaine Helena C. de Matos; Paloma Carolina L. Carvalho; Alex O. Botelho; Moacir R. Forim ; Andreia P. Matos;
Gracielle O. S. Cunha ; Cássia Cristina F. Alves; Cristiane de M. Cazal

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The influence of the circadian rhythm and hydrodistillation time on the content and chemical composition of the essential oils from the leaves of Callistemon viminalis was evaluated, as well as their antifungal activity.

https://dx.doi.org/10.21577/0103-5053.20250021

Published online: February 5, 2025

 

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Total access: 337


J. Braz. Chem. Soc. 2025, 36(6), e-20250023, 1-18

A Pipeline Protocol to Design, Discover and Research on Peptide Inhibitors and Binding Sites for Neglected Tropical Diseases: An Application for Leishmaniasis

Natanael E. S. M. T. Bonfim ; Simone Q. Pantaleão ; Leonardo A. Calderon ; Eric Allison Philot ; Ana Ligia Scott

How to cite this article

 

In this work, we propose a protocol for identifying potential biological targets against Leishmaniasis, detecting their binding sites taking into account the flexibility of these proteins and their physicochemical characteristics for the appropriate coupling of bioactive peptides, thus helping with the treatment of Leishmaniasis.

https://dx.doi.org/10.21577/0103-5053.20250023

Published online: February 6, 2025

 

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Total access: 510


J. Braz. Chem. Soc. 2025, 36(6), e-20250025, 1-7

Nanoemulsion Based on Piper tuberculatum Essential Oil for the Treatment of the Crop Pest
Bemisia tabaci Biotype B

Stefane S. Rodrigues; Sara L. Gomes; Yanka Manoelly S. Gaspar; Maria Carolina F. e Silva; Luciana B. Silva; Sidney G. de Lima ; Welter Cantanhêde; Francisca Diana S. Araújo

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Nanoemulsions based on Piper tuberculatum essential oil showed toxicity against the crop pest Bemisia tabaci similar to the commercial insecticide.

https://dx.doi.org/10.21577/0103-5053.20250025

Published online: February 10, 2025

 

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Total access: 324


J. Braz. Chem. Soc. 2025, 36(6), e-20250026, 1-15

Multiresidue Pesticide Analysis in Cereal Grains Using Nanosized γ‑Aluminum Oxide as Effective Purification Material

Wenbi Guan ; Hengrui Lian; Yunjin Cai; Su Yao; Hongwu Wang

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Nanosized γ-aluminum oxide was used as effective dispersive solid-phase extraction sorbent to pesticides multi-residue analysis in cereal grains by gas chromatography-orbitrap mass spectrometry analysis.

https://dx.doi.org/10.21577/0103-5053.20250026

Published online: February 11, 2025

 

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Total access: 410


J. Braz. Chem. Soc. 2025, 36(6), e-20250027, 1-16

Design, Synthesis and Biological Evaluation of Lupeol-3-Thiadiazole Derivatives as Novel Glutaminase 1 Inhibitors

Lu Wang; Shuang Tian; Qiang Lin; Yu Lin ; Yukun Ma; Ran Luo; Ming Bu ; Haijun Wang

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Design, synthesis and biological evaluation of compound 9c: a novel glutaminase 1 inhibitor.

https://dx.doi.org/10.21577/0103-5053.20250027

Published online: February 11, 2025

 

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Total access: 410


J. Braz. Chem. Soc. 2025, 36(6), e-20250031, 1-17

Use of Metallic and Non-Metallic Materials for Tartrazine Dye Degradation via in situ Production of Oxidizing Species

Caroline N. Benetti ; Patrícia L. Weinert; José M. Aquino; Elaine R. L. Tiburtius

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The heterogeneous photocatalysis process, involving a combination of semiconductors, maximizes the efficiency of dye removal in aqueous solution.

https://dx.doi.org/10.21577/0103-5053.20250031

Published online: February 18, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250032, 1-11

Voltammetric Food Inventory Feasibility: A Qualitative Discussion of the Redox Processes of its Majority Constituents

Júnio G. Silva ; Leonardo L. Okumura ; Flávia A. Pinheiro; Astréa F. S. Silva; Edimar A. F. Fontes; Juliana A. Diniz

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This voltammetric study on 14 food matrices explored the different parameters using different extraction media and techniques. The results elucidate the electrochemical behavior of the matrices under different analytical conditions and indicate the presence of antioxidant compounds in all analyzed samples.

https://dx.doi.org/10.21577/0103-5053.20250032

Published online: February 24, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250033, 1-12

Development of an Electroanalytical Method for the Simultaneous Determination of Isoproturon and p-Nitrophenol Using a Non-Modified Glassy Carbon Electrode

Kelline Alaide P. Sousa; Camila S. de Sousa; Franciele M. Morawski; Antonio G. dos Santos Neto; Cristiane Luisa Jost

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Promising tool for the electroanalysis of coexisting contaminants like isoproturon (ISO) and para-nitrophenol (p-NP) in environmental samples. Square wave voltammetry and glassy carbon electrode guarantee the simultaneous determination with accuracy and proper selectivity.

https://dx.doi.org/10.21577/0103-5053.20250033

Published online: February 26, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250034, 1-9

Female Pheromone Associated with Male Attraction in a Medical Interest Recluse Spider Loxosceles intermedia (Araneae; Sicariidae)

Marta Luciane Fischer; Eduardo N. Ramires; Carlos Delay; Gustavo Frensch ; Stefan Schulz; Emanuel M. da Silva;
Beatriz H. L. N. S. Maia; Francisco A. Marques

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Geranyl acetone and geranyl acetate, produced exclusively by female Loxosceles intermedia recluse spiders, of medical interest, have been found to be more attractive to males compared to females.

https://dx.doi.org/10.21577/0103-5053.20250034

Published online: February 26, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250035, 1-14

Aflavinine Alkaloids from Aspergillus sp.: Antibacterial Activity and Inosine 5'-Monophosphate Dehydrogenase (IMPDH) as a Potential Target in Bacillus subtilis

João Victor Silva-Silva ; André O. Feitosa; Thiago Henrique Doring; Luciano A. Watanabe; José Edson S. Siqueira;
Adriano D. Andricopulo; Patrícia S. B. Marinho; Andrey Moacir R. Marinho

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Aflavinine alkaloids from Aspergillus sp. show potential as Gram-positive bacterial inhibitors, possibly targeting Bacillus inosine-5'-monophosphate dehydrogenase (IMPDH), as indicated by docking, dynamics, and density functional theory (DFT) analyses.

https://dx.doi.org/10.21577/0103-5053.20250035

Published online: March 6, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250036, 1-12

Pereskia aculeata Leaves Valorization from the Application of Pressurized Liquid Extraction

Fernanda R. dos Passos; Mônica L. Fiorese; Edson A. da Silva; Oscar O. Santos Jr.; Lúcio Cardozo Filho; Camila da Silva

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Extraction of active compounds from Pereskia aculeate leaf.

https://dx.doi.org/10.21577/0103-5053.20250036

Published online: March 7, 2025

 

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Total access: 275


J. Braz. Chem. Soc. 2025, 36(6), e-20250038, 1-11

Exploratory Study on the Impact of Climatic Factors and Vehicle Traffic on Ozone and BTEX Levels in Itaperuna, Brazil

Tayná S. Picanço; Maria Clara R. de Souza; Ana Paula S. Figueiredo; Roberta C. Urban; Benigno S. Cabrero; Maria Cristina Canela ; Murilo O. Souza

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Tropospheric ozone (O3) formation in Itaperuna-RJ, is driven by the hot climate, pollutant-trapping valleys, and BTEX (benzene, toluene, ethylbenzene, and xylenes) emissions, posing health and climate risks.

https://dx.doi.org/10.21577/0103-5053.20250038

Published online: March 10, 2025

 

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Total access: 288


J. Braz. Chem. Soc. 2025, 36(6), e-20250040, 1-11

High-Throughput Laser Diode Thermal Desorption-Tandem Mass Spectrometry Method for Rapid Determination of Lamotrigine in Human Plasma

Glauco Cézar F. F. Soares; Danillo F. M. C. Veloso ; Iram M. Mundim; Leonardo S. Teixeira; Maria Carolina Almeida ;
Luiz Carlos da Cunha

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Lamotrigine pharmacokinetics was assessed using an ultrafast laser diode thermal desorption coupled with mass spectrometry (LDTD-MS/MS) method, which bypasses high-performance liquid chromatography (HPLC) separation and provides reliable results in 10 s per sample.

https://dx.doi.org/10.21577/0103-5053.20250040

Published online: March 11, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250041, 1-12

Diversity of Chemical Composition and Antibacterial Activity of Cinnamomum verum and Ocotea catharinensis (Lauraceae) Essential Oils

Erica R. Costa; Eduardo J. Coutinho; Jaqueline C. M. da Silva; Janaina T. Facco; Márcia S. M. Vaz; Simone Simionatto;
Cláudia A. L. Cardoso; Michele C. de Paula‑Silva; Euclésio Simionatto

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The chemical composition of essential oils isolated from the species Cinnamomum verum and Ocotea catharinensis (Lauraceae) was characterized, followed by evaluations of activity against multidrug-resistant (MDR) bacteria and seasonal effects.

https://dx.doi.org/10.21577/0103-5053.20250041

Published online: March 11, 2025

 

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J. Braz. Chem. Soc. 2025, 36(6), e-20250042, 1-9

New Colletotricandins and Thielavins Isolated from Colletotrichum gloeosporioides

Mustapha N. Abubakar ; Vitor S. Mazucato ; Paulo C. Vieira

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The phytophatogenic fungus Colletotrichum gloeosporioides, isolated from papaya, cultured on potato dextrose agar (PDA), subsequently up-scaled in rice medium, produced new derivatives of colletotricandins 2 and 3 as well as thielavins 4 and 5, along with other known metbolites.

https://dx.doi.org/10.21577/0103-5053.20250042

Published online: March 12, 2025

 

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Additions and Corrections J. Braz. Chem. Soc. 2025, 36(6), e-20250059, 1


 

https://dx.doi.org/10.21577/0103-5053.20250059

Published online: April 29, 2025

 

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Online version ISSN 1678-4790 Printed version ISSN 0103-5053
Journal of the Brazilian Chemical Society
JBCS Editorial and Publishing Office
University of Campinas - UNICAMP
13083-970 Campinas-SP, Brazil

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