Recent Papers - Machine Learning Special Issue
Reviews/Accounts - last 5 years
Medicinal Chemistry Collection 2023-2024
Papers from 2024
Advances in Breast Cancer Drug Discovery: A Review of Therapeutic Strategies and Studies Involving Photosensitizers, Caged Xanthones and Thiosemicarbazones Derivatives
Douglas D. S. Oliveira; Thibault J. W. Jacques Dit Lapierre 
; Fernanda C. Silva; Ieda V. Cunha; Rafael A. C. Souza;
Patrícia A. Matos ; Gustavo M. Almeida; Carolina G. Oliveira ; Thaise G. Araújo; Tayana M. Tsubone ; Celso O. Rezende Jr.
Synthesis, in vitro Toxicity, and Antitrypanosomal Activity of Arylated and Diarylated Thiazoles
Kelly L. Figueira; Roberson D. Girão ; Krislayne N. da Costa; Ana C. R. Barreto; Maria de Nazaré C. Soeiro; Jones Limberger
Antiproliferative, Anti-Inflammatory and Anti-Microbial Activities of Synthesized Benzo[f]benzo[4,5]imidazo[1,2-d][1,4]oxazepine and Benzo[f]benzo[4,5]oxazolo[3,2-d][1,4]oxazepine Derivatives
Khalid M. Abu Khadra ; Huda A. AL-Saadi; Areej M. Assaf; Firas F. Awwadi; Shehadeh Mizyed
Design, Synthesis, and Molecular Docking Studies of New Quinoline-Thiazole Hybrids, Potential Leads in the Development of Novel Antileukemic Agents
Victor Facchinetti; Claudia Regina B. Gomes; Karoline C. L. Aboud; Rodolfo G. Fiorot ; Guilherme G. C. de Carvalho;
Carlos Roberto K. Paier; Claudia do Ó Pessoa; Anne Caroline C. Gomes; Marcus Vinícius N. de Souza ; Thatyana R. A. Vasconcelos
A Combined Approach for Predicting Binding Affinity of Zika Virus NS2B-NS3 Protease Inhibitors Using Semi-Empirical Methods and Molecular Docking Algorithms
Maycon Vinicius D. de Oliveira ; Leonardo L. Almeida ; João A. P. da Rocha ; Ana Lucia M. Wanzeller ; Anderson H. Lima
Evaluation of the Antioxidant, Photoprotective and Wound Healing Capacity of Guazuma ulmifolia lam. Extracts in L-929 Cells Exposed to UV-A and UV-B Irradiation
Lennon A. Araujo; Karine C. Nunes; João C. P. Mello ; Celso V. Nakamura; Raquel G. Gomes ; Rosangela Bergamasco
Novel Phenylpropanoid Derivative from Euploca procumbens (Mill.) Diane & Hilger with Potential Anti-Inflammatory Activity
George L. D. dos Santos ; Francisca S. V. Lins; Yuri M. do Nascimento; Thalisson A. de Souza; Luiza C. F. Opretzka ;
Cristiane F. Villarreal; Ana C. F. de Albuquerque; Lucas S. Abreu ; Fernando M. dos Santos Junior ; José I. M. de Melo;
Ivana M. Fechine; Raimundo Braz-Filho ; Josean F. Tavares ; Marcelo S. da Silva
Exploring Urease Inhibition by Coumarin Derivatives through in silico and in vitro Methods
Marciéli Fabris ; Priscila G. Camargo ; Mariana L. Silva ; Talis U. Silva ; Sérgio P. Machado ; Carlos R. Rodrigues ;
Camilo H. S. Lima ; Magaly G. Albuquerque ; Marcelle L. F. Bispo
Characterization and Biological Activity of Native and Sulfated Noni (Morinda citrifolia Linn.) Pectin
Denilton G. Santos; Arcelina P. Cunha; Ana C. B. Ribeiro; Débora H. A. Brito; Luciana M. R. Alenca; Davi F. Farias; Ana F. F. U. Carvalho; João A. C. Sousa; Luzia K. A. M. Leal; Nayara Lopes; Rosa E. C. Linhares; Carlos Nozawa; Antonia F. J. Uchoa; Maria E. N. P. Ribeiro ; Nágila M. P. S. Ricardo
Novel Flavanone Naringenin Derivative with Anti-Inflammatory Activity
Rodrigo O. S. de Souza; Lívia C. R. Hilgenberg; Ana C. S. Pinto; Renyer A. Costa; Fernanda G. Simplicio ; Emerson S. Lima
Toxicological Effects of Synthesized Pyrazoline Derivative 4-(3-(4-Bromophenyl))- 5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl) Benzenesulfonamide, Compound B8 on Antioxidant Enzymes and Hematological Parameters of Rainbow Trout Alevins (Oncorhynchus mykiss)
Dilan O. Ozgun ; Ahmed O. Maslat; Khalid M. Abu Khadra ; Telat Yanik ; Gonca Alak; Arzu Ucar ; Halise I. Gul; Esat M. Kocaman; Veysel Parlak; Rana Almuhur ; Muhammed Atamanalp
In silico Analysis of Natural Products from Brazilian Biodiversity in COVID-19 Treatment: NuBBE Database against SARS-CoV-2 Papain-Like Protease
Caio Felipe A. R. Cheohen; Maria Eduarda A. Esteves; Vinnícius M. S. Gomes; Diego Allonso; Manuela L. da Silva
Aminoguanidine Hydrazone Derivatives: The Antioxidant, Antineoplastic Profile, and Interaction with ctDNA Studies
Ari S. Guimarães; Woodland S. Oliveira; Aline R. S. Araújo; Mary Ann Foglio ; Pedro G. V. Aquino; João X. de Araújo-Júnior ; Martine Schmitt; Ana Lúcia T. G. Ruiz; Isis M. Figueiredo; Josué C. C. Santos
Ionic Liquid-Catalyzed Multicomponent Synthesis of Isoxazole-5(4H)-ones: in vitro Activities and Principal Component Analysis
Yasmine B. Queiroz; Yasmin A. de Freitas; Juliana G. M. Lima; Luciano Ribeiro; Luciana M. Ramos
Semisynthesis and Cytotoxic Activities of Novel Oxime Ester Derivatives of the Diterpene Stemodin
José Augusto C. de Oliveira; Carlos José Alves Filho; Antônio Marcelo A. Lima; Cláudia do Ó Pessoa; Fátima de Cássia E. de Oliveira; Fátima N. Miranda; Marcos Carlos de Mattos ; Maria Conceição F. Oliveira ; Jair Mafezoli ; Francisco Geraldo Barbosa
Computational Insight and Anticancer Effect of Cinnamic Acid-Derivative Amide Compounds
Aldo Y. Alarcón-López ; Manuel A. Hernández-Serda ; Pablo Aguirre-Vidal; Luis A. Cárdenas-Granados ; Víctor H. Vázquez-Valadez; Pablo A. Martínez‑Soriano; Paola Briseño-Lugo; Ana M. Velázquez-Sánchez; Elizabeth Rul-Ramírez; María Luisa Jiménez-Jiménez; Jared Becerril-Ricco; Alhel Adán-Ladrón de Guevara; José Manuel Tinajero-Rodríguez; Elizabeth Ortiz; Enrique Ángeles
In silico and in vitro Studies Evaluating the Promising Antiureolytic Activity of Schiff's Base 4-(3-Hydroxybenzylideneamino)phenol and Its Amine Derivative
Caroline S. Dohanik; Camila P. Pereira; Breno G. F. de Oliveira; Igor J. S. Nascimento; Amanda Luise A. Nascimento;
Josué C. C. Santos ; Thiago M. de Aquino; Rachel O. Castilho; Luzia V. Modolo ; Ângelo de Fátima ; Gisele A. C. Goulart
Evaluation of Intestinal Permeability of the Antifungal Compound PD76: Comparison of in silico Platforms and in vitro Assay in Caco-2 Cell Model
Isabella C. Pierotte; Iara R. Silva; Valtair S. dos Santos Jr.; Gabriel P. Almeida; Pedro Henrique G. dos Santos; Vinícius G. Maltarollo; Renata B. de Oliveira; José Eduardo Gonçalves ; Isabela Costa César
Pharmacophore Modeling for Pleurotin Derivatives Targeting Human Thioredoxin Reductase
Daniel B. Quintanilha; Hélio F. Dos Santos
Antimicrobial Potential of Soil/Sediment Mangrove Associated Fungi: A Review
Antonio Fernando V. C. Braga; Marcelino S. do Rosário; Jakson Breno N. Gomes; Cristina de A. Monteiro; Flavia A. C. Farias; Edson Rodrigues Filho; Antônio José Cantanhede Filho
Synthesis and Analysis of Carvacrol-Derived Morita-Baylis-Hillman Adducts as Potential Anticancer Agents
Aliny P. Vasconcelos ; Francisco J. S. Xavier; Aleff Castro ; Matheus F. Lima; Lucas E. L. Terceiro; Fábio P. L. Silva;
Mario L. A. A. Vasconcellos ; Bruna B. Dantas; Andrezza M. Barbosa; Sâmia S. Duarte; Demetrius A. M. Araújo
Claudio G. Lima-Junior
New Licarin A Derivative is Effective against Leishmania (Leishmania) amazonensis Promastigotes and Intracellular Amastigotes
Marcilene A. Alves; Patrícia F. Espuri; Dalila J. Alvarenga; Thalles H. F. Souza; Matheus F. Alves; Diogo T. Carvalho ;
Marcos J. Marques; Eduardo F. Peloso
Antimicrobial Potential of Soil/Sediment Mangrove Associated Fungi: A Review
Antonio Fernando V. C. Braga; Marcelino S. do Rosário; Jakson Breno N. Gomes; Cristina de A. Monteiro; Flavia A. C. Farias; Edson Rodrigues Filho; Antônio José Cantanhede Filho
Putative Inhibitor of TcCYP51 from a Library of Approved Drugs: A Virtual Screening Study
Luiz Augusto P. Flores-Junior ; Eldio G. dos Santos ; Estela Maris F. Muri ; Camilo Henrique S. Lima ; Luiza Rosaria S. Dias
Medicinal Chemistry in Times of Scientific Obscurantism and Denialism: Do We Have a Future?
Brenno A. D. Neto ; Carlos Mauricio R. Sant'Anna
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
LASSBio Chemical Library Diversity and FLT3 New Ligand Identification
Lucas S. Franco; Rodolfo C. Maia; Eliezer J. Barreiro
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
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
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
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
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
Bioactive Amino-Quinazolines: Synthesis and Therapeutic Applications
Lucas S. Franco ; Pedro S. M. Pinheiro ; Maria Letícia C. Barbosa
Intrinsically Disordered Malaria Antigens: An Overview of Structures, Dynamics and Molecular Simulation Opportunities
Pamella C. C. da Silva ; Leandro Martínez
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
30 Years of Kinase Inhibitors: A Historical Overview and some Brazilian Contributions
Júlia G. B. Pedreira ; Stefan Laufer
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
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
Thirty Years in the Design and Development of Cruzain Inhibitors
Gabriel Jasinski; María Florencia Martini; Albertina G. Moglioni
Status and Prospects of Molecular Simulations for Drug Discovery
Hugo Verli ; Chris Oostenbrink
Analysis of Cannabinoids in Medicinal Cannabis Products: A Comprehensive Review
Julieth G. Herrera ; Larissa A. Rolim ; Ricardo S. Honorato ; Maria Fernanda Pimentel
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.
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
The Discovery of Protheolysis Targeting Chimeras (PROTACs), Evolution, Design and Perspectives in Modulating Inflammatory Diseases
Lucas Caruso ; Thiago M. Pereira ; Arthur E. Kümmerle
The Interplay between Protein Frustration and Hotspot Formation
Thamires Q. Froes ; Marcelo S. Castilho
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
Papers from 2023
Synthesis and Evaluation of Antibacterial Activity of 1,2,3-Triazole and Ether Derivatives of Paeonol
Laura Patricia R. Figueroa; Nayara A. dos Santos; Pedro Henrique O. Santiago; Wanderson Romão; Valdemar Lacerda Junior ; Javier Ellena ; Ana Camila Micheletti; Warley S. Borges
Honey of Tetragonisca angustula from Southwestern Bahia: Influence of Seasonality on the Physicochemical Profile and Glioma Cell Inhibitory Effect
Adrianne B. Ferreira ; Cleber G. Novaes ; Hion O. de Jesus; Julita Maria P. Borges; Florisvaldo S. Ramos; Anderson J. Pereira; Djalma M. de Oliveira; Rosane M. Aguiar
Indoquinoline Alkaloids from Sida rhombifolia (L.) (Malvaceae) and Antimicrobial Evaluation of Cryptolepinone Derivatives
Micaelly S. Oliveira; Otemberg S. Chaves; Laísa V. Cordeiro; Ayala N. P. Gomes; Diégina A. Fernandes; Yanna C. F. Teles; Tania M. S. da Silva ; Kristerson R. L. Freire; Edeltrudes O. Lima; Maria de Fátima Agra; Maria de Fátima V. de Souza
Amazonian Fruit Mari-Mari (Cassia leiandra Benth.): Identification of Flavonoids and Antioxidant, Antimicrobial and Antiproliferative Properties
Mayane P. de Souza; Ingrity Suelen C. Sá; Flávio Augusto de Freitas ; Afonso D. L. de Souza ; Sergio M. Nunomura; Magno P. Muniz; Ana Paula R. Pereira; Bianca O. Augusto; Giovana B. Gomes; Renata T. Perdomo; Maria Lígia R. Macedo; Simone S. Weber; Rita de Cassia S. Nunomura
Enhanced Larvicidal Activity of New 1,2,4-Oxadiazoles against Aedes aegypti Mosquitos: QSAR and Docking Studies
Aluízio G. da Silva ; Daniela Maria A. F. Navarro ; Geanne K. N. Santos ; Júlio César R. O. F. de Aguiar ; Karla A. de França ; Iris Raquel M. Tébéka ; Janaína V. dos Anjos ; João Bosco P. da Silva ; Luiz A. Kanis ; Rajendra M. Srivastava ; Ricardo Antônio W. Neves Filho ; Mozart N. Ramos
Virtual Screening Based on Ligand and Structure with in vitro Assessment of Neolignans against Trypanosoma cruzi
Mayara S. Maia ; Rodrigo S. Andrade; Julyanne M. S. Sousa; Natália F. Sousa; Gabriela C. S. Rodrigues; Renata P. B. Menezes; Marcelo S. Silva ; Josean F. Tavares; Klinger A. F. Rodrigues; Luciana Scotti; Marcus T. Scotti
Marine Natural Products in the Battle against Dengue, Zika, and Chikungunya Arboviruses
Thayssa S. F. Fagundes ; Thatyana R. A. Vasconcelos ; Fernando M. dos Santos Junior ; Bia F. Rajsfus ; Diego Allonso ; José C. J. M. D. S. Menezes ; Alessandra L. Valverde ; Vinicius R. Campos
Synthesis of Isatins and Oxindoles Derivatives as SARS-CoV-2 Inhibitors Evaluated through Phenotypic Screening with Vero Cells
Cintia M. C. F. Lima; Lúcio H. Freitas-Junior; Carolina B. Moraes; Cecília G. Barbosa; Till Opatz; Mauricio M. Victor
Ursolic Acid Derivatives Down Regulate Inflammatory Mediators
Elaine C. Scherrer; Ydia M. Valadares; Caio C. S. Alves ; Alessandra P. Carli; Bárbara G. R. Fernandes; Paloma E. Carvalho; Karla A. Ramos; Maiara R. Salvador; Jeferson G. da Silva; Fernando S. Silva; Ângelo M. L. Denadai; Sandra B. R. Castro
Synthesis and Anticancer Activity of Homodimeric Morita-Baylis-Hillman Adducts Based on 3-Hydroxyindolin-2-one Core
Maísa C. Coelho ; Aleff Castro ; Tayná R. Olegário ; Rodrigo Cristiano ; Boniek G. Vaz ; Gabriel F. dos Santos ; Lucas S. Machado ; Gardênia C. G. Militão ; Paulo B. N. da Silva ; Mário L. A. A. Vasconcellos ; Claudio G. Lima-Junior
Molecular Modeling Studies of β-Sitosterol Extract from Miconia burchellii Triana (Melastomataceae) from Brazilian Cerrado
Marianna C. Silva ; Vitor S. Duarte; Lóide O. Sallum ; Gracielle O. S. Cunha; Jean M. F. Custodio; Allen G. Oliver; Josana C. Peixoto; Antônio C. S. Menezes; Hamilton B. Napolitano
Unraveling the Metabolomic Profile and Bioactivities of the Paratoid Gland Secretion from Rhinella granulosa
Elcio Daniel S. Barros; Evaldo S. Monção Filho; Mariluce G. Fonseca; Patrícia S. Alves; Antônia Laíres S. Santos; Chistiane M. Feitosa; Dulce Helena S. Silva ; Pedro Mikael S. Costa; Cláudia Pessoa; Carmem D. L. Campos; Cristina A. Monteiro; Mariana Helena Chaves ; Gerardo M. Vieira Júnior
Mitochondria-Targeted Ergosterol Peroxide Derivatives: Synthesis, Anticancer Properties and Their Preliminary Mechanism of Inhibiting MCF-7 Cell Proliferation
Wenkang Ren; Jiale Wu; Jiafeng Wang; Haijun Wang; Yinglong Han; Yu Lin; Ming Bu
Synthesis of Fentanyl Triazole Derivatives and their Affinity for Mu-Opioid and Sigma-1 Receptors
Ruth P. Paulino; Rosemeire B. Alves; Joanna Matalińska; Piotr F. J. Lipiński; Rossimiriam P. Freitas
Four Brazilian Potential Species Almost Unexplored of Connaraceae Family Used Popularly for Diabetes: Chemical Composition and in vitro Activity
Luís Fernando N. A. Paim ; Leonard D. R. Acho; Paulo Roberto dos Santos; Cássio Augusto P. Toledo; Luana Minello; Joicelene Regina L. da Paz; Emerson Lima; Mirian Salvador; Sidnei Moura
Synthesis and Evaluation of the Antileishmanial Activity of Novel Eugenol Analogs Containing 1,2,3-Triazole Fragments against Intracellular Leishmania braziliensis
Roberta S. Evangelista; Larissa C. Pereira; Luciana Â. de Souza; Adilson V. Costa ; Danilo A. da Silva; Fabrício M. de Oliveira; Boniek G. Vaz ; Gustavo C. Bressan; Juliana L. R. Fietto; Róbson R. Teixeira
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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