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Bioanalysis, Analysis, Chemistry, and Pharmacological Aspects of Hypoxia-Inducible Factor Prolyl Hydroxylase Inhibitors.
Curr Top Med Chem
January 2025
Shobhaben Pratapbhai Patel School of Pharmacy & Technology Management, SVKM's NMIMS Deemed to be University, Vile Parle West, Mumbai, Maharashtra, India-400056.
The development of Hypoxia-Inducible Factor Prolyl Hydroxylase Inhibitors (HIFPHIs), such as Roxadustat (ROX), Enarodustat (ENA), Desidustat (DES), Vadadustat (VAD), Molidustat (MOL), and Daprodustat (DAP), has significant effects on anemia in chronic kidney disease. This review presents comprehensive information about the synthesis, pharmacology, and analysis of HIF-PHIs across several matrices. The literature has presented several approaches for quantifying HIF-PHIs in diverse sample matrices.
View Article and Find Full Text PDFIdentifying ADME-related gene signature for immune landscape and prognosis in KIRC by single-cell and spatial transcriptome analysis.
Sci Rep
January 2025
Department of Nephrology, Renmin Hospital of Wuhan University, Wuhan, 430060, China.
Kidney renal clear cell carcinoma (KIRC) is the most prevalent subtype of kidney cancer. Although multiple therapeutic agents have been proven effective in KIRC, their clinical application has been hindered by a lack of reliable biomarkers. This study focused on the prognostic value and function of drug absorption, distribution, metabolism, and excretion- (ADME-) related genes (ARGs) in KIRC to enhance personalized therapy.
View Article and Find Full Text PDFArsenic accumulation and reproductive toxicity in freshwater snail (Pomacea canaliculata).
Ecotoxicol Environ Saf
January 2025
Guangdong Laboratory for Lingnan Modern Agriculture, Guangdong Provincial Key Laboratory of Agricultural & Rural Pollution Abatement and Environmental Safety, College of Natural Resources and Environment, South China Agricultural University, Guangzhou 510642, China. Electronic address:
This study aimed to investigate the tissue-specific accumulation patterns of arsenic (As) and the potential toxicological effects of As on the oviposition of a globally distributed aquatic invertebrate, the apple snail (Pomacea canaliculata). An eight-compartment physiologically based pharmacokinetic (PBPK) model was utilized to simulate the distribution and depuration kinetics of arsenite and arsenate in the snails. Modeling and biotransformation suggested that intestine-stomach was the main uptake site for As and plays an important role in maintaining the balance of As species.
View Article and Find Full Text PDFIdentification of novel 3-dehydroquinate dehydratase (DHQD) inhibitors for anti-tuberculosis activity: insights from virtual screening, molecular docking, and dynamics simulations.
In Silico Pharmacol
January 2025
Molecular Biophysics and Structural Biology (MBSB) Group, Department of Biochemistry, University of Johannesburg, Auckland Park Kingsway Campus, Johannesburg, 2006 South Africa.
Tuberculosis (TB) remains a pressing global health concern, causing substantial mortality and morbidity despite existing drugs and vaccines. The escalating challenge of drug-resistant TB underscores the critical need for novel medications. This study focuses on the enzyme 3-hydroquinate dehydratase (DHQD) in the shikimate pathway of (Mtb), essential for Mtb growth.
View Article and Find Full Text PDFArtificial intelligence-driven prediction and validation of blood-brain barrier permeability and absorption, distribution, metabolism, excretion profiles in natural product research laboratory compounds.
Biomedicine (Taipei)
December 2024
School of Chinese Medicine, College of Chinese Medicine, China Medical University, Taichung, Taiwan.
Introduction: Our previous research demonstrated that a large language model (LLM) based on the transformer architecture, specifically the MegaMolBART encoder with an XGBoost classifier, effectively predicts the blood-brain barrier (BBB) permeability of compounds. However, the permeability coefficients of compounds that can traverse this barrier remain unclear. Additionally, the absorption, distribution, metabolism, and excretion (ADME) characteristics of substances obtained from the Natural Product Research Laboratory (NPRL) at China Medical University Hospital (CMUH) have not yet been determined.
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