Article
Engineering, Environmental
Sara J. McClelland, Sarah K. Woodley
Summary: Even trace concentrations of CPF, an organophosphorus pesticide, can affect brain development and behavior in Northern leopard frogs. These effects persist into later life stages and some of them are nonmonotonic, being evident at lower concentrations but not at higher ones.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Entomology
Yasser Abobakr, Faisal I. Al-Hussein, Alaa E. Bayoumi, Ali A. Alzabib, Ali S. Al-Sarar
Summary: The house fly, Musca domestica L., is an important pest associated with humans and livestock that has developed high levels of resistance to organophosphate insecticides in field populations collected from Riyadh, Saudi Arabia. Replacing these insecticides with novel ones that have different modes of action is urgent for effective pest control programs. Monitoring resistance development in house fly populations and understanding its mechanisms are essential for designing successful management strategies.
Article
Agriculture, Multidisciplinary
Wenqin Li, Yi Ding, Huitang Qi, Tian Liu, Qing Yang
Summary: The study found that several phytochemicals can inhibit multiple insect chitinolytic enzymes simultaneously, with predicted interactions with key residues and good insecticidal activity. This research provides a new approach for using a multitarget high-throughput screening strategy to discover natural products as insecticide leads.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Amanda Ponce Morais Cerqueira, Isis Bugia Santana, Janay Stefany Carneiro Araujo, Helimar Goncalves Lima, Maria Jose Moreira Batatinha, Alexsandro Branco, Manoelito Coelho dos Santos Junior, Mariana Borges Botura
Summary: The study used homology modeling to predict the structure of R. microplus AChE1 (RmAChE1) and molecular docking to analyze the anticholinesterase activity of flavonoids and a synthetic acaricide. The results showed that the flavonoid quercetin exhibited promising anti-tick activity in terms of AChE inhibition and larval mortality.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Parasitology
Pascal Milesi, Jean-Loup Claret, Sandra Unal, Mylene Weill, Pierrick Labbe
Summary: Organophosphate and carbamate insecticides have led to the emergence of resistance in mosquito species. The study reveals that a specific mutation in the ace-1 gene confers resistance to both insecticides. Additionally, the presence of multiple copies of the resistant gene is associated with varying levels of resistance and trade-offs in the absence of insecticide.
PARASITES & VECTORS
(2022)
Article
Toxicology
Vendula Hepnarova, Martina Hrabinova, Lubica Muckova, Tomas Kucera, Monika Schmidt, Rafael Dolezal, Lukas Gorecki, Veronika Hrabcova, Jan Korabecny, Eva Mezeiova, Daniel Jun, Jaroslav Pejchal
Summary: In this study, a series of compounds were evaluated for their insecticidal effects, with K1328 and K1329 outperforming standard pesticides and showing potential as lead structures for novel anticholinesterase insecticides.
TOXICOLOGY IN VITRO
(2022)
Article
Medicine, Research & Experimental
Sagheer Ahmed, Sidrah Tariq Khan, Muhammad Kazim Zargaham, Arif Ullah Khan, Saeed Khan, Abrar Hussain, Jalal Uddin, Ajmal Khan, Ahmed Al-Harrasi
Summary: Alzheimer's disease is the most common type of dementia affecting the later years of life and will be a major burden on the healthcare system. Despite scientific advancements, there are still no therapies available to stop or slow the progression of the disease. FDA has approved certain drugs for AD treatment, but research also suggests potential benefits from herbal compounds.
BIOMEDICINE & PHARMACOTHERAPY
(2021)
Article
Agriculture, Multidisciplinary
Thomas C. Sparks, Stephen O. Duke
Summary: Natural products have a long history as sources of compounds for crop protection, and have also served as models for the discovery and development of synthetic crop protection compounds. The simplification of natural product structures is key for the development of future agrochemicals focused on fungicides, herbicides, and insecticides.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Thomas C. Sparks, Beth A. Lorsbach
Summary: New options for pest insect control, including new insecticides, are needed to ensure food security for a growing global population. The discovery of new insecticides with novel chemistries and modes of action is crucial to tackle resistance issues. First-in-Class (FIC) insecticides are important prototypes that drive innovation and refinement in terms of efficacy and safety. Understanding the approaches used for the discovery of FIC insecticides can provide valuable insights for future development.
PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY
(2023)
Article
Environmental Sciences
David Renault, Abdo Elfiky, Amr Mohamed
Summary: This study used in silico techniques to detect sequence polymorphisms in the ace1 gene of naturally occurring B. tabaci variants. The researchers identified several point mutations that could potentially influence insecticide resistance. Homology modeling and molecular docking analyses indicated that these mutations could alter the structure of the enzyme and potentially affect its sensitivity to insecticides.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Entomology
Emre Inak
Summary: The study screened mutations associated with resistance in 37 populations of T. urticae collected across Turkey, finding that almost all populations had the F331W/Y mutation, with only two populations containing the A201S mutation. Additionally, more than half of the populations had the T280A and G328A mutations, suggesting widespread distribution of ace mutations in T. urticae populations in Turkey.
EXPERIMENTAL AND APPLIED ACAROLOGY
(2022)
Review
Biochemistry & Molecular Biology
Lucja Justyna Walczak-Nowicka, Mariola Herbet
Summary: Acetylcholinesterase (AChE) plays a crucial role in the pathogenesis of neurodegenerative diseases, with ongoing research focusing on identifying new AChE inhibitors to potentially treat these diseases. The review highlights the importance of AChE inhibitors and their potential use in developing therapies for neurodegenerative diseases. Further investigations into designing and discovering new drugs targeting AChE may lead to effective treatments for neurodegenerative diseases in the future.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Review
Biochemistry & Molecular Biology
Natalia Smyrska-Wieleba, Tomasz Mroczek
Summary: This article provides an updated description and comparison of natural inhibitors of cholinesterases (IChEs), namely, acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE), based on data from the last 15 years. It also highlights the potential impact of compound structures on the therapeutic effects of cholinesterase inhibitors. The findings suggest that natural sources are still promising for the discovery of new compounds with significant pharmacological activity, and further research is needed to understand the mechanisms of action and structure-activity correlation of cholinesterase inhibitors for medical applications.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Arman Abdalla Ali, Shakhawan Ahmad Mhamad, Aso Hameed Hasan, Iqrar Ahmad, Siti Awanis Abdullah, Shajarahtunnur Jamil, Harun Patel, Sankaranarayanan Murugesan, Joazaizulfazli Jamalis
Summary: Acetylcholinesterase inhibitors (AChEIs) have been investigated for the treatment of Alzheimer's disease. This study focused on synthesizing chalcone derivatives with anti-cholinesterase potential. The compounds exhibited potent inhibitory activity against AChE, with compound 11i showing the most potent activity compared to the positive compound, Galantamine. Docking studies and molecular dynamics simulation confirmed the significant binding affinity and stability of compound 11i in the acetylcholinesterase enzyme.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biotechnology & Applied Microbiology
Shuoqi Jiang, Qiuya Gu, Xiaobin Yu
Summary: The study reported the heterologous expression of AChE from Tetronarce californica in E. coli, showing good activity and stability when immobilized in calcium alginate beads. TcA exhibited high sensitivity to various insecticides, with immobilized TcA showing better inhibitory effects.
APPLIED MICROBIOLOGY AND BIOTECHNOLOGY
(2023)
Article
Chemistry, Medicinal
Mariana L. Garcia, Andrew A. de Oliveira, Renata Bueno, Victor H. R. Nogueira, Guilherme E. de Souza, Rafael V. C. Guido
Summary: This study investigates the potential inhibitors of benzothiophene derivatives as antimalarial drugs through quantitative structure-activity relationship (QSAR) analysis. The results reveal that polar interactions are the major molecular features affecting the inhibitory activity and selectivity.
DRUG DEVELOPMENT RESEARCH
(2022)
Article
Chemistry, Applied
Ayelen Luczywo, Lucia G. Gonzalez, Anna C. C. Aguiar, Juliana Oliveira de Souza, Guilherme E. Souza, Glaucius Oliva, Luis F. Aguilar, Juan J. Casal, Rafael V. C. Guido, Silvia E. Asis, Marco Mellado
Summary: Inspired by natural products, indole alkaloids have been used as a nucleus to design new antimalarial drugs. Through structure-activity relationship analysis, it was found that the focused LUMO lobe on the specific molecular zone is related to inhibitory activity against P. falciparum.
NATURAL PRODUCT RESEARCH
(2022)
Article
Chemistry, Medicinal
Camila Irabuena, Laura Scarone, Guilherme Eduardo de Souza, Anna Caroline Campos Aguiar, Giovana Rossi Mendes, Rafael Victorio Carvalho Guido, Gloria Serra
Summary: In recent years, progress in controlling malaria has slowed down. The World Health Organization has reported a modeling analysis predicting an increase in malaria morbidity and mortality in sub-Saharan Africa during the COVID-19 pandemic. Investigating the repurposing of old drugs could be a rapid way to discover new drugs. In this study, researchers prepared Nitazoxanide and analogs using two methodologies and evaluated their activity against P. falciparum 3D7.
MEDICINAL CHEMISTRY RESEARCH
(2022)
Article
Plant Sciences
Marcelo R. de Amorim, Tiago A. Paz, Luciano da S. Pinto, Felipe Hilario, Camila L. Zanini, Anna Caroline C. Aguiar, Debora E. S. Silva, Maysa Furlan, Rafael V. C. Guido, Tais M. Bauab, Adelino V. de G. Netto, Lourdes C. dos Santos
Summary: In this study, four new alkaloids and four known compounds were isolated from the extract of Paraphaeosphaeria sporulosa F03 strain. The new compounds showed antifungal activity against Candida species and one of them exhibited antiplasmodial activity.
Article
Biochemistry & Molecular Biology
Melina Mottin, Lindsay K. Caesar, David Brodsky, Nathalya C. M. R. Mesquita, Ketllyn Zagato de Oliveira, Gabriela Dias Noske, Bruna K. P. Sousa, Paulo R. P. S. Ramos, Hannah Jarmer, Bonnie Loh, Kimberley M. Zorn, Daniel H. Foil, Pedro M. Torres, Rafael V. C. Guido, Glaucius Oliva, Frank Scholle, Sean Ekins, Nadja B. Cech, Carolina H. Andrade, Scott M. Laster
Summary: This study discovered that three chalcone compounds derived from Angelica keiskei have the potential to inhibit the activity of the Zika virus. Among them, 4HD and XA-E showed promising anti-viral activity, indicating their potential as therapeutic candidates for Zika virus.
BIOORGANIC CHEMISTRY
(2022)
Article
Parasitology
Rafaela Regina Fantatto, Ana Carolina de Souza Chagas, Yousmel Aleman Gainza, Flavio Augusto Sanches Politi, Leonardo Mendes de Souza Mesquita, Wagner Vilegas, Humberto Ribeiro Bizzo, Ilio Montanari Junior, Rosemeire Cristina Linhari Rodrigues Pietro
Summary: Although Brazilian livestock is highly productive, the losses caused by parasites still greatly limit these activities. This study evaluated the anthelmintic and acaricidal activities of the ethanolic extract and essential oil from Achyrocline satureioides against important endo and ectoparasites in sheep and cattle. The results showed high efficacy and significant inhibition against the parasites.
EXPERIMENTAL PARASITOLOGY
(2022)
Article
Parasitology
Wilian A. Cortopassi, Emma Gunderson, Yasmin Annunciato, Antony. E. S. Silva, Amalia dos Santos Ferreira, Carolina Bioni Garcia Teles, Andre S. Pimentel, Roopa Ramamoorthi, Marcos L. Gazarini, Mario R. Meneghetti, Rafael. V. C. Guido, Dhelio B. Pereira, Matthew P. Jacobson, Antoniana U. Krettli, Anna Caroline C. Aguiar
Summary: Malaria is a deadly tropical disease in Africa, causing around 500,000 deaths annually among African children under five. Chloroquine (CQ), a low-cost antimalarial, is no longer effective against most malaria cases due to resistance mechanisms. This study investigated a CQ analogue called DAQ, which showed promising antiplasmodial activity and low propensity for resistance. The presence of a triple bond in CQ analogues may offer a cost-effective opportunity to overcome resistance in malaria parasites.
INTERNATIONAL JOURNAL FOR PARASITOLOGY-DRUGS AND DRUG RESISTANCE
(2022)
Article
Biochemistry & Molecular Biology
Flavio Augusto Sanches Politi, Suzana Goncalves Carvalho, Camila Fernanda Rodero, Kaio Pini dos Santos, Andreia Bagliotti Meneguin, Rodrigo Sorrechia, Leila Aparecida Chiavacci, Marlus Chorilli
Summary: This study aimed to evaluate the efficiency of nanoencapsulation and incorporation of piperine into hyaluronic acid/alginate-based biomembranes. Polymeric nanoparticles with high encapsulation efficiency and appropriate size were successfully prepared using the nanoprecipitation technique. The developed system demonstrated potential for the treatment of inflammatory skin diseases, as evidenced by in vitro and in vivo experiments.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Biochemistry & Molecular Biology
Natalia C. S. Costa, Norival A. Santos-Filho, Julia P. Piccoli, Ana M. Fusco-Almeida, Claudia T. Santos, Juliana O. de Souza, Camila L. Zanini, Anna Caroline C. Aguiar, Glaucius Oliva, Rafael V. C. Guido, Eduardo M. Cilli
Summary: Fungal and parasitic diseases are global health problems with limited treatment options due to resistant pathogens. This study investigated the antifungal and antiparasitic properties of RP1 peptide conjugated with ferrocene. The conjugate showed promising activity and low toxicity, making it a potential biomolecule for drug development.
PROTEIN AND PEPTIDE LETTERS
(2022)
Editorial Material
Pharmacology & Pharmacy
Paula Gomes, Rafael V. C. Guido
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Pharmacology & Pharmacy
Natalia Vitoria Bitencourt, Gabriela Marinho Righetto, Ilana Lopes Baratella Cunha Camargo, Mariana Ortiz de Godoy, Rafael Victorio Carvalho Guido, Glaucius Oliva, Norival Alves Santos-Filho, Eduardo Maffud Cilli
Summary: Recent studies have found that the peptide [des-Cys(11),Lys(12),Lys(13)-(p-BthTX-I)(2)K] (p-Bth) is a potent analog with enhanced antimicrobial activity and inhibitory effects against SARS-CoV-2. The dimerization and dendrimerization of p-Bth are crucial for its antibacterial activity, while the inhibitory activity against PLpro remains consistent regardless of the structure. These findings highlight the importance of dimerization and dendrimerization in the development of antimicrobial peptides.
Article
Chemistry, Medicinal
Paulo Ricardo Pimenta da Silva Ramos, Melina Mottin, Caroline Sprengel Lima, Leticia R. Assis, Ketllyn Zagato de Oliveira, Nathalya Cristina de Moraes Roso Mesquita, Natasha Marques Cassani, Igor Andrade Santos, Joyce Villa Verde Bastos Borba, Vinicius Alexandre Fiaia Costa, Bruno Junior Neves, Rafael Victorio Carvalho Guido, Glaucius Oliva, Ana Carolina Gomes Jardim, Luis Octavio Regasini, Carolina Horta Andrade
Summary: This study used computational approaches to screen for compounds that can inhibit ZIKV and identified pedalitin and quercetin as potential anti-ZIKV drug candidates.
Article
Biochemistry & Molecular Biology
Gabriela Dias Noske, Ellen de Souza Silva, Mariana Ortiz de Godoy, Isabela Dolci, Rafaela Sachetto Fernandes, Rafael Victorio Carvalho Guido, Peter Sjoe, Glaucius Oliva, Andre Schutzer Godoy
Summary: This study investigated the effects of 14 Mpro gene mutations on the antiviral drugs nirmatrelvir and ensitrelvir. Most mutations showed reduced inhibition by the drugs, but some mutations did not. These findings can help monitor potential drug-resistant strains, support combination therapy design, and facilitate the development of next-generation Mpro inhibitors.
JOURNAL OF BIOLOGICAL CHEMISTRY
(2023)
Article
Plant Sciences
Denisa Langova, Maria Angelica Mera Cordoba, Rodrigo Sorrechia, Julie Hoova, Zdenek Svoboda, Renata Mikulikova, Marcos Antonio Correa, Rosemeire Cristina Linhari Rodrigues Pietro, Ivana Marova
Summary: This study investigates the antimicrobial effect of Achyrocline satureioides hydroalcoholic extract and its potential use in cosmetic preparations. The extract showed a beneficial effect on the growth and renewal of keratinocytes, with minimal fragrance allergens. It also exhibited a synergistic interaction with other cosmetic components, suggesting its potential as a natural antimicrobial alternative to commonly used preservatives.
Article
Chemistry, Multidisciplinary
Renna K. E. Costa, Guilherme A. Brancaglion, Matheus P. Pinheiro, Douglas Adamoski, Bianca N. da Silva, Cyro Z. de V. Negrao, Kaliandra de A. Goncalves, Camila T. Rodrigues, Andre L. B. Ambrosio, Rafael V. C. Guido, Julio C. Pastre, Sandra M. G. Dias
Summary: Cancer cells rely on glucose metabolism, but also have an increased dependency on glutamine metabolism. Glutaminase inhibitors could be a potential therapeutic target for cancer treatment. The molecule C12 shows promise in inhibiting glutaminase activity and could be useful for developing new inhibitors.
RESULTS IN CHEMISTRY
(2023)