Interest in HDAC3 inhibitors (HDAC3i) for pharmacological applications outside of cancer is growing. However, concerns regarding the possible mutagenicity of the commonly used hydroxamates (zinc-binding groups, ZBGs) are also increasing. Considering ...
INTRODUCTION: The unbound brain-to-plasma partition coefficient (K) is an essential parameter for predicting central nervous system (CNS) drug disposition using physiologically-based pharmacokinetic (PBPK) modeling. K values for specific compounds ar...
Carbamazepine (CBZ) and its transformation products (TPs) often occur in aquatic environments in the form of mixtures, posing potential risks to ecosystems. However, establishing standardized protocols for synthesizing, isolating, and acquiring these...
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
Feb 8, 2025
Novel antifungal drugs that evade resistance are urgently needed for Candida infections. Antifungal peptides (AFPs) are potential candidates due to their specific mechanism of action, which makes them less prone to developing drug resistance. An AFP ...
Allergic rhinitis is a devastating health complication that interrupts the quality of daily life and significantly affects around 40 % of the population worldwide. Despite the availability of various treatment options, many patients continue to strug...
Depression, a serious mood disorder, affects about 5% of the population. Currently, there are two groups of antidepressants that are the first-line treatment for depressive disorder: selective serotonin reuptake inhibitors and serotonin-norepinephrin...
Glaucoma is an irreversible, progressive, degenerative eye disorder arising because of increased intraocular pressure, resulting in eventual vision loss if untreated. The QSPR relates, mathematically, by employing various algorithms, a specified prop...
Journal of chemical information and modeling
Jan 22, 2025
Essential oils (EOs) exhibit a broad spectrum of biological activities; however, their clinical application is hindered by challenges, such as variability in chemical composition and chemical/physical instability. A critical limitation is the lack of...
Human organic cation transporter 2 (hOCT2/SLC22A2) is a key drug transporter that facilitates the transport of endogenous and exogenous organic cations. Because hOCT2 is responsible for the development of adverse effects caused by platinum-based anti...
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...
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