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A python approach for prediction of physicochemical properties of anti-arrhythmia drugs using topological descriptors.
Sci Rep
January 2025
Department of Mathematical Sciences, Faculty of Science, Somali National University, Mogadishu Campus, Mogadishu, Somalia.
In recent years, machine learning has gained substantial attention for its ability to predict complex chemical and biological properties, including those of pharmaceutical compounds. This study proposes a machine learning-based quantitative structure-property relationship (QSPR) model for predicting the physicochemical properties of anti-arrhythmia drugs using topological descriptors. Anti-arrhythmic drug development is challenging due to the complex relationship between chemical structure and drug efficacy.
View Article and Find Full Text PDFPhytochemical and Antioxidant Analysis of Bioactive Compound Extract from Nelumbo nucifera against Cancer Proteins: In Silico Spectroscopic Approach.
Appl Biochem Biotechnol
January 2025
Centre for Applied Research, Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences (SIMATS), Thandalam, Chennai, Tamil Nadu, 602105, India.
Nelumbo nucifera, an aquatic crop cultivated throughout Asian countries, belongs to the Nelumbonaceae family and has been widely used in traditional medicines with key pharmacological activities such as anti-viral, antipyretic, antioxidant, anti-steroid, anti-inflammatory, anti-arrhythmia, anti-obesity, and anti-aging properties. The present study aims to explore and assess the phytochemical composition, GC-MS profiling, antioxidant efficacy, and the major phytoconstituent phytol subjected to theoretical spectroscopic characterization using the DFT method. The phytochemical profiling of N.
View Article and Find Full Text PDFAutomaticity of the Pulmonary Vein Myocardium and the Effect of Class I Antiarrhythmic Drugs.
Int J Mol Sci
November 2024
Department of Pharmacology, Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama Funabashi, Chiba 274-8510, Japan.
The pulmonary vein wall contains a myocardial layer whose ectopic automaticity is the major cause of atrial fibrillation. This review summarizes the results obtained in isolated pulmonary vein myocardium from small experimental animals, focusing on the studies with the guinea pig. The diversity in the action potential waveform reflects the difference in the repolarizing potassium channel currents involved.
View Article and Find Full Text PDFAconitine in Synergistic, Additive and Antagonistic Approaches.
Toxins (Basel)
October 2024
National Research and Development Institute for Cryogenic and Isotopic Technologies-ICSI Rm. Valcea, 240050 Ramnicu Valcea, Romania.
Aconitine is a highly poisonous C-diterpenoid alkaloid identified and isolated from the species of the genus Aconitine is indicated in the treatment of cardiovascular diseases (CVDs) and, due to its neurotoxic effects, is a very effective drug in pain release. A total of 101 relevant scientific papers were manually searched on the Web of Science, Scopus, Science Direct, Google Scholar, PubMed and Dovepress databases and in the books available in the library of the Department of Natural Sciences, the National University of Science and Technology POLITEHNICA Bucharest, Pitesti University Centre, Romania. In combination treatments, aconitine shows antiarrhythmic and anti-inflammatory activity, a synergistic antiproliferative effect and decreased reactive oxygen species (ROS) generation, an improved biodistribution and bioavailability.
View Article and Find Full Text PDFPropafenone facilitates mitochondrial-associated ferroptosis and synergizes with immunotherapy in melanoma.
J Immunother Cancer
November 2024
Department of Dermatology, Xiangya Hospital, Central South University, Changsha, Hunan Province, China
Article Synopsis
- * Researchers screened 200 FDA-approved cardiovascular drugs and identified propafenone, a heart medication, as a potential enhancer of ferroptosis in melanoma treatment.
- * Results showed that combining propafenone with ferroptosis inducers leads to significant tumor regression and improved survival rates in animal models, suggesting its potential to boost immunotherapy responses in melanoma patients.
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