Results 51 to 60 of about 29,861 (222)

Toxic Evaluations of Calea phyllolepis Extracts Standardized on 6‐epi‐β‐Verbesinol Coumarate and Its In Silico Prediction of the Toxicity

Chemistry &Biodiversity, EarlyView.
In vivo and in silico toxicological effects of Calea phyllolepis extracts Standardized on 6‐epi‐β‐Verbesinol Coumarate. ABSTRACT Medicinal plants are traditionally used in folk medicine. Still, there is a misconception about the safety/efficacy of natural treatments, which results in few studies on the toxic, genotoxic, and mutagenic potential of ...
Suele Bierhals Vencato, Guilherme Borsoi, Cleverson Feistel, Mariele Feiffer Charão, Angélica Rocha Joaquim, Jaqueline Nascimento Picada, Alexandre de Barros Falcão Ferraz   +6 more
wiley   +1 more source

Pyridopyrazine derivatives as highly selective histamine H4 receptor antagonist for the treatment of atopic dermatitis: QSAR modeling and molecular docking studies

AIMS Allergy and Immunology
Atopic dermatitis (AD) is a prevalent inflammatory skin condition, primarily characterized by intense pruritus and chronic inflammation. Current therapeutic options targeting the histamine H4 receptor (H4R) have shown limited efficacy in addressing both ...
Mohamed El Yaqoubi, Mouad Lahyaoui, Yousra Seqqat, Taoufiq Saffaj, Bouchaib Ihssane, Nabil Saffaj, Rachid Mamouni, Fouad Ouazzani Chahdi, Fahad M Alshabrmi, Alaa Abdulaziz Alnahari, Saad M. Howladar, Ammar AL-Farga, Youssef Kandri Rodi   +12 more
doaj   +1 more source

Recent Advances in Isatin–Thiazole Hybrids: Synthesis, Structural Design, and Biological Application

Chemistry &Biodiversity, EarlyView.
ABSTRACT Isatin–thiazole hybrids are considered privileged chemical scaffolds due to their broad spectrum of pharmacological properties, making them attractive candidates for drug development. As a result, isatin–thiazole derivatives have emerged as a prominent class of hybrid heterocycles and have been the focus of extensive research in recent years ...
Isadora M. G. Andrade, Edson de O. Lima Filho, Caio F. Valadão, Luana da S. M. Forezi, Fernando de C. da Silva   +4 more
wiley   +1 more source

Screening benzimidazole derivatives for atypical antipsychotic activity

Фармация и фармакология (Пятигорск)
The development of innovative antipsychotic drugs is one of the key tasks of modern pharmacology. Due to their unique chemical properties, benzimidazole derivatives demonstrate diverse neuropsychotropic effects, highlighting their high potential as ...
K. Yu. Kalitin, O. Yu. Mukha, V. B. Voynov   +2 more
doaj   +1 more source

Artificial intelligence in preclinical epilepsy research: Current state, potential, and challenges

Epilepsia Open, EarlyView.
Abstract Preclinical translational epilepsy research uses animal models to better understand the mechanisms underlying epilepsy and its comorbidities, as well as to analyze and develop potential treatments that may mitigate this neurological disorder and its associated conditions. Artificial intelligence (AI) has emerged as a transformative tool across
Jesús Servando Medel‐Matus, Cesar Santana‐Gomez, Ruby G. Escalante, Dominique Duncan, Pedro F. Viana, Giulia Sofia Cereda, Naoto Kuroda, Aristea S. Galanopoulou   +7 more
wiley   +1 more source

TargetGen‐RNN model discovers novel antibiotic compound targeting drug‐resistant Staphylococcus aureus

Interdisciplinary Medicine, EarlyView.
TargetGen‐recurrent neural network (RNN), an advanced generative model, generated 28,708 unique and novel compounds, identifying SAK‐2970 as a potent antibiotic against drug‐resistant Staphylococcus aureus. Exhibiting strong biofilm inhibition, high therapeutic efficacy, and minimal systemic toxicity in vivo, SAK‐2970 highlights its safety and clinical
Shakeel Ahmad Khan, Adnan Shakoor, Sadia Kanwal   +2 more
wiley   +1 more source

Surface Chemical Analysis of Plastic Materials by X‐Ray Photoelectron Spectroscopy: Understanding Weathering, Fragmentation and Contaminant Uptake in Marine Environments

Macromolecular Materials and Engineering, EarlyView.
This Perspective demonstrates how X‐ray photoelectron spectroscopy (XPS) uncovers surface chemical changes in plastics, providing insight into weathering‐driven fragmentation and contaminant adsorption. The Perspective underscores XPS's pivotal role in elucidating fragmentation mechanisms, predicting pollutant–plastic interactions, and guiding ...
Tiziano Di Giulio, Cosimino Malitesta, Elisabetta Mazzotta   +2 more
wiley   +1 more source

QSAR DataBank - an approach for the digital organization and archiving of QSAR model information [PDF]

Journal of Cheminformatics, 2014
Abstract Background Research efforts in the field of descriptive and predictive Quantitative Structure-Activity Relationships or Quantitative Structure–Property Relationships produce around one thousand scientific publications annually. All the materials and results are mainly communicated using printed media.
Villu Ruusmann, Sulev Sild, Uko Maran
openaire   +2 more sources

The Contribution of Cholesterol and Squalene Synthase in Cancer: Molecular Mechanisms, Lipid Rafts and Therapeutic Approaches

Medicinal Research Reviews, EarlyView.
ABSTRACT A plethora of cellular signaling pathways are dysregulated in cancer cells, promoting carcinogenesis and migration. Cholesterol has recently been linked to cancer by several subcellular mechanisms, especially by its involvement in the formation of lipid rafts, which promote oncogenic signaling and cancer cell invasion. Squalene synthase (SQS),
Danai Mavridi, Theodora Katavati, Angeliki P. Kourounakis   +2 more
wiley   +1 more source

“Molecular Docking and Dynamic Studies of Amide Derivatives from Cinnamic Acid with Potential Anti‐Dengue Virus Activity”

ChemistryOpen, EarlyView.
A library of easily synthesizable CAPE analogs was screened in silico against the dengue virus envelope protein. Compound LQM778 showed stable binding and promising inhibitory potential. This study highlights LQM778 as a candidate for future in vitro validation and structural optimization toward accessible antiviral agents against dengue.
Luis Alfonso Cárdenas‐Granados, Manuel Alejandro Hernández‐Serda, Omar Joel Villegas‐Solís, Víctor Hugo Vázquez‐Valadez, Aldo Yoshio Alarcón‐López, Pablo A. Martínez‐Soriano, Jaqueline Ramos‐Sánchez, Tannya Karen Castro‐Jiménez, José Bustos‐Arriaga, Enrique Angeles   +9 more
wiley   +1 more source