JBCS

20:50, Mon Sep 9

Open Access/APCs

First slide
Second slide
Third slide
Third slide

Current Issue vol. 35, No. 10, 2024

 

This special issue covers a range of recent and significant topics in Medicinal Chemistry, including host-guest interactions, advancements in drug discovery, synthesis and application of bioactive molecules, and treatments for neglected diseases. Additionally, it explores computational methods applied to Medicinal Chemistry, the importance of natural products, and the role of multicomponent reactions in synthesis. Medicinal Chemistry plays a vital role in improving human health and requires extensive interdisciplinary efforts. In the face of challenges to scientific understanding and acceptance, the resilience of medicinal chemists offers hope for the future, underscoring the need for ongoing support and investment in this field. Read more at Editorial.

Special Issue Medicinal Chemistry



Logo eurofarma

Editorial J. Braz. Chem. Soc. 2024, 35(10), e-20240147, 1-2

Medicinal Chemistry in Times of Scientific Obscurantism and Denialism: Do We Have a Future?

Brenno A. D. Neto ; Carlos Mauricio R. Sant'Anna

How to cite this article

 

https://dx.doi.org/10.21577/0103-5053.20240147

Total access: 454


Account J. Braz. Chem. Soc. 2024, 35(10), e-20240056, 1-16

Flavonoids as Inspiration for the Design and Synthesis of New Antiproliferative, Antiparasitic and Antiviral Compounds: An Account

Guilherme S. Caleffi ; Alcides J. M. da Silva ; Chaquip Daher Netto ; Jorge L. O. Domingos ; Eduardo J. Salustiano ;
Paulo R. R. Costa

How to cite this article

 

Modified flavonoids were synthesized and showed potent antiproliferative and antiparasitic activity in vitro and in vivo, and antiviral activity in vitro.

https://dx.doi.org/10.21577/0103-5053.20240056

Published online: April 16, 2024

 

Share PDF

Total access: 440


J. Braz. Chem. Soc. 2024, 35(10), e-20240059, 1-13

LASSBio Chemical Library Diversity and FLT3 New Ligand Identification

Lucas S. Franco; Rodolfo C. Maia; Eliezer J. Barreiro

How to cite this article

 

This account describes the LASSBio Chemical Library diversity and a virtual screening against feline McDonough sarcoma-like tyrosine kinase 3 (FLT3).

https://dx.doi.org/10.21577/0103-5053.20240059

Published online: April 18, 2024

 

Share PDF   Supplementary Information 

Total access: 488


Review J. Braz. Chem. Soc. 2024, 35(10), e-20240053, 1-21

Amidines: The Main Discoveries in the Synthesis and Anti-Leishmanial Effects of New Chemotherapeutic Agents

Cláudio E. Rodrigues-Santos ; Maurício R. de Brito; Aurea Echevarria

How to cite this article

 

Mini review highlighting amidine derivatives: principal synthesis methods and anti-Leishmania activity results.

https://dx.doi.org/10.21577/0103-5053.20240053

Published online: April 12, 2024

 

Share PDF

Total access: 326


J. Braz. Chem. Soc. 2024, 35(10), e-20240071, 1-34

Revisiting Nitroaromatic Drugs: Mechanisms of Bioactivation, Metabolism and Toxicity and Methods to Synthesize Nitroaromatic Fragments

Saulo T. Abreu ; Luis Gabriel V. Gelves ; Eliezer J. Barreiro ; Lídia M. Lima

How to cite this article

 

Nitroaromatic as drug: Food and Drug Administration (FDA) approval, mechanisms of bioactivation, metabolism and toxicity, and synthesis of nitroaromatic fragment by nitration and amine oxidation.

https://dx.doi.org/10.21577/0103-5053.20240071

Published online: May 7, 2024

 

Share PDF

Total access: 299


J. Braz. Chem. Soc. 2024, 35(10), e-20240075, 1-33

Multicomponent Reactions in the Last 30 Years: How are we Today?

Henrique B. de Lima ; Gustavo M. das Neves ; Itamar L. Gonçalves ; Aloir A. Merlo ; Vera L. Eifler-Lima

How to cite this article

 

A bibliometric analysis was performed to map the research performed in Brazil on multicomponent reactions over a period of 30 years through a literature search.

https://dx.doi.org/10.21577/0103-5053.20240075

Published online: May 13, 2024

 

Share PDF

Total access: 295


J. Braz. Chem. Soc. 2024, 35(10), e-20240085, 1-15

Seasoning to Kill: the Example of the Natural Amide Piperine and Its Potential in the Design of New Antiparasitic Drugs

Afonso S. M. M. Velez ; Paulo Pitasse-Santos ; Leonardo Freire-de-Lima ; Célio G. Freire-de-Lima ; Debora Decoté-Ricardo ; Marco E. F. de Lima

How to cite this article

 

Piperine is a natural amide with an interesting chemical structure and promising activities against several parasitic diseases. It is a renewable natural product easily extracted from black pepper, one of the most important spices used worldwide.

https://dx.doi.org/10.21577/0103-5053.20240085

Published online: May 22, 2024

 

Share PDF

Total access: 256


J. Braz. Chem. Soc. 2024, 35(10), e-20240091, 1-23

The Thin Line between Promiscuous and Privileged Structures in Medicinal Chemistry

Thayná A. Bibiano; Heber Victor Tolomeu ; Pedro S. M. Pinheiro ; Carlos Alberto M. Fraga

How to cite this article

 

Enhancing the equilibrium between promiscuous and privileged structures in Medicinal Chemistry.

https://dx.doi.org/10.21577/0103-5053.20240091

Published online: May 29, 2024

 

Share PDF

Total access: 266


J. Braz. Chem. Soc. 2024, 35(10), e-20240100, 1-19

Bioactive Amino-Quinazolines: Synthesis and Therapeutic Applications

Lucas S. Franco ; Pedro S. M. Pinheiro ; Maria Letícia C. Barbosa

How to cite this article

 

This article reviews the synthesis and biological activities of the amino-quinazoline privileged structure over the last 30 years, focusing on the last decade.

https://dx.doi.org/10.21577/0103-5053.20240100

Published online: June 12, 2024

 

Share PDF

Total access: 211


J. Braz. Chem. Soc. 2024, 35(10), e-20240102, 1-21

Intrinsically Disordered Malaria Antigens: An Overview of Structures, Dynamics and Molecular Simulation Opportunities

Pamella C. C. da Silva ; Leandro Martínez

How to cite this article

 

A bibliographical review of molecular dynamics enhanced sampling techniques for analysis of Plasmodium falciparum proteins and their implications for antibody binding.

https://dx.doi.org/10.21577/0103-5053.20240102

Published online: June 13, 2024

 

Share PDF

Total access: 198


J. Braz. Chem. Soc. 2024, 35(10), e-20240103, 1-16

From Origin to Current Methods: An Overview of Molecular Modeling Applied to Medicinal Chemistry in the Last 30 Years

Vinícius N. Rocha; Carlos M. R. Sant'Anna

How to cite this article

 

The image shows the evolution in the usage of Computer-Assisted Drug Design (CADD) methods during the last 30 years.

https://dx.doi.org/10.21577/0103-5053.20240103

Published online: June 14, 2024

 

Share PDF

Total access: 214


J. Braz. Chem. Soc. 2024, 35(10), e-20240104, 1-21

Organometallics in Medicinal Chemistry: Antiparasitic Agents

Dinorah Gambino

How to cite this article

 

Metallocenes, "half sandwich" M-arenes and metal carbonyls are potential drugs against malaria and neglected diseases caused by trypanosomatid parasites and parasitic helminths.

https://dx.doi.org/10.21577/0103-5053.20240104

Published online: June 17, 2024

 

Share PDF

Total access: 180


J. Braz. Chem. Soc. 2024, 35(10), e-20240107, 1-13

30 Years of Kinase Inhibitors: A Historical Overview and some Brazilian Contributions

Júlia G. B. Pedreira ; Stefan Laufer

How to cite this article

 

This work reviews protein kinase inhibitors of the last 30 years and highlights contributions from Brazilian researchers.

https://dx.doi.org/10.21577/0103-5053.20240107

Published online: June 25, 2024

 

Share PDF   Supplementary Information 

Total access: 194


J. Braz. Chem. Soc. 2024, 35(10), e-20240109, 1-35

Advancements in the Synthesis and Biological Properties of Carboranes and High‑Boron Related Compounds: A Comprehensive Exploration with Emphasis on BNCT Applications

Marcos Couto ; Hugo Cerecetto

How to cite this article

 

The advancements in both chemistry and the biological behavior, with a focus on boron neutron capture therapy involving specific polyhedral boron clusters, are examined.

https://dx.doi.org/10.21577/0103-5053.20240109

Published online: June 25, 2024

 

Share PDF

Total access: 190


J. Braz. Chem. Soc. 2024, 35(10), e-20240112, 1-29

Structure-Based Virtual Screening: Successes and Pitfalls

Adenilson G. Lima; André B. Penteado; Jullyane G. de Jesus; Vanessa J. R. de Paula; Witor R. Ferraz ; Gustavo H. G. Trossini

How to cite this article

 

Workflow diagram of a structure-based virtual screening (SBVS) process showing the two approaches discussed in this work.

https://dx.doi.org/10.21577/0103-5053.20240112

Published online: June 27, 2024

 

Share PDF

Total access: 236


J. Braz. Chem. Soc. 2024, 35(10), e-20240115, 1-26

Thirty Years in the Design and Development of Cruzain Inhibitors

Gabriel Jasinski; María Florencia Martini; Albertina G. Moglioni

How to cite this article

 

This review presents the main developments in inhibitors of cruzipain/cruzain, a crucial enzyme in the life cycle of Trypanosoma cruzi, the etiological agent of Chagas disease, from the 1990s to the present.

https://dx.doi.org/10.21577/0103-5053.20240115

Published online: July 3, 2024

 

Share PDF

Total access: 155


J. Braz. Chem. Soc. 2024, 35(10), e-20240119, 1-15

Status and Prospects of Molecular Simulations for Drug Discovery

Hugo Verli ; Chris Oostenbrink

How to cite this article

 

Evolution of molecular simulations applications in drug-discovery in the past 30 years.

https://dx.doi.org/10.21577/0103-5053.20240119

Published online: July 11, 2024

 

Share PDF

Total access: 206


J. Braz. Chem. Soc. 2024, 35(10), e-20240129, 1-25

Analysis of Cannabinoids in Medicinal Cannabis Products: A Comprehensive Review

Julieth G. Herrera ; Larissa A. Rolim ; Ricardo S. Honorato ; Maria Fernanda Pimentel

How to cite this article

 

Chromatographic techniques and alternative strategies for qualitative and quantitative analysis of cannabinoids in medicinal cannabis products and cannabis extracts.

https://dx.doi.org/10.21577/0103-5053.20240129

Published online: July 18, 2024

 

Share PDF

Total access: 178


J. Braz. Chem. Soc. 2024, 35(10), e-20240155, 1-16

Analogues and Derivatives of Cannabidiol: Pharmacological Insights and Recent Efforts in the Search for Novel Drug Candidates for Inflammation and Pain - a Brief Review Over the Past 3 Decades

Mikaela L. de Souza; Graziella R. R. Franco; Larissa E. Massuda; Vanessa S. Gontijo; Claudio Viegas Jr.

How to cite this article

 

Cannabidiol (CBD) and its synthetic derivatives and analogues have been investigated for decades due to their medicinal uses as neuroprotective, anti-convulsive, antinociceptive, and anti-inflammatory, aimed at clarifying the mechanisms of action underlying their pharmacology and contribute to the development of innovative drugs.

https://dx.doi.org/10.21577/0103-5053.20240155

Published online: August 9, 2024

 

Share PDF

Total access: 122


J. Braz. Chem. Soc. 2024, 35(10), e-20240159, 1-18

Drug Repositioning and Artificial Intelligence: Is It a Promising Approach to be Used for Neglected Diseases?

Fernanda Bongiovani; Marcos A. Ferreira-Junior ; Soraya S. Santos ; Jeanine G. Vargas ; Elizabeth I. A. Ferreira

How to cite this article

 

Relationship between drug repositioning, artificial intelligence with essential participation of human beings, generating molecules which could turn into medicines.

https://dx.doi.org/10.21577/0103-5053.20240159

Published online: August 12, 2024

 

Share PDF

Total access: 88


J. Braz. Chem. Soc. 2024, 35(10), e-20240160, 1-31

The Discovery of Protheolysis Targeting Chimeras (PROTACs), Evolution, Design and Perspectives in Modulating Inflammatory Diseases

Lucas Caruso ; Thiago M. Pereira ; Arthur E. Kümmerle

How to cite this article

 

How much PROTACs (protheolysis targeting chimeras) can change the drug discovery? Since its discovery in 2001, a huge evolution has been done in terms of mechanisms, proof of concepts and design. A new PROTAC drug can be one step from the market, with ARV-471 that just entered in phase III clinical trials.

https://dx.doi.org/10.21577/0103-5053.20240160

Published online: August 13, 2024

 

Share PDF

Total access: 156


J. Braz. Chem. Soc. 2024, 35(10), e-20240168, 1-21

The Interplay between Protein Frustration and Hotspot Formation

Thamires Q. Froes ; Marcelo S. Castilho

How to cite this article

 

Localized protein frustration is higher around druggable hotspots, partially explaining their origin and suggesting innovative hit-to-lead strategies.

https://dx.doi.org/10.21577/0103-5053.20240168

Published online: August 20, 2024

 

Share PDF   Supplementary Information 

Total access: 79


Articles J. Braz. Chem. Soc. 2024, 35(10), e-20240043, 1-11

Interactive Profile between 1,4-Naphthoquinone Derivatives and Human Serum Albumin

Romulo C. Ferreira; Otávio Augusto Chaves ; Cosme Henrique C. S. de Oliveira; Vitor Francisco Ferreira ; Sabrina B. Ferreira; Carlos Serpa; Dari Cesarin-Sobrinho; José Carlos Netto-Ferreira

How to cite this article

 

The 1,4-naphthoquinones interact moderately into a positive electrostatic pocket of human serum albumin (site I) via ground-state association.

https://dx.doi.org/10.21577/0103-5053.20240043

Published online: March 28, 2024

 

Share PDF   Supplementary Information 

Total access: 376


J. Braz. Chem. Soc. 2024, 35(10), e-20240136, 1-9

Interaction of a Triruthenium ortho-Metallated Phenazine with Cytochrome P450 Enzymes

Luis Guilherme A. do Nascimento ; Maike F. S. Barbetta ; Otávio A. Chaves ; Anderson R. M. de Oliveira ; Sofia Nikolaou

How to cite this article

 

[Ru3O(CH3COO)5(py)2(dppzCl)]PF6 (py = pyridine; dppz-Cl = 7-chlorodipyrido[3,2-a:2',3'-c]phenazine) is metabolized by human cytochrome P450 enzymes when incubated with human liver microsomes.

https://dx.doi.org/10.21577/0103-5053.20240136

Published online: July 23, 2024

 

Share PDF   Supplementary Information 

Total access: 136

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

Free access

GN1