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Integrating machine learning and structure-based approaches for repurposing potent tyrosine protein kinase Src inhibitors to treat inflammatory disorders.
Sci Rep
January 2025
State Key Laboratory of Chemical Resources Engineering, Beijing University of Chemical Technology, Beijing, 100029, People's Republic of China.
Tyrosine-protein kinase Src plays a key role in cell proliferation and growth under favorable conditions, but its overexpression and genetic mutations can lead to the progression of various inflammatory diseases. Due to the specificity and selectivity problems of previously discovered inhibitors like dasatinib and bosutinib, we employed an integrated machine learning and structure-based drug repurposing strategy to find novel, targeted, and non-toxic Src kinase inhibitors. Different machine learning models including random forest (RF), k-nearest neighbors (K-NN), decision tree, and support vector machine (SVM), were trained using already available bioactivity data of Src kinase targeting compounds.
View Article and Find Full Text PDFNVP-2, in combination with Orlistat, represents a promising therapeutic strategy for acute myeloid leukemia.
Cancer Biol Ther
December 2025
Department of Hematology, Children's Hospital of Soochow University, Suzhou, China.
Cell cycle dysregulation and the corresponding metabolic reprogramming play significant roles in tumor development and progression. CDK9, a kinase that regulates gene transcription and cell cycle, also induces oncogene transcription and abnormal cell cycle in AML cells. The function of CDK9 for gene regulation in AML cells requires further exploration.
View Article and Find Full Text PDFA Comparative Analysis of the Pharmacodynamic and Pharmacokinetic Properties of 2 Controlled-Release Formulations Versus a Marketed Orlistat Product.
Clin Pharmacol Drug Dev
January 2025
Empros Pharma AB, Solna, Sweden.
A new modified-release oral formulation combines acarbose and orlistat (MR-OA) to enhance efficacy and reduce adverse effects through controlled drug release. This study aims to compare the pharmacodynamic properties of the orlistat component of MR-OA (MR-O) with a conventional orlistat product, Xenical (Conv-O), analyzing the percentage of fecal fat excretion. In addition, the pharmacokinetic properties of the complete formulation, MR-OA, were compared with Conv-O.
View Article and Find Full Text PDFEffect of White Tea on Leptin and Asprosin Levels in Rats Feeding a High-Fat Diet.
Life (Basel)
November 2024
Department of Histology and Embryology, Faculty of Medicine, Recep Tayyip Erdogan University, 53020 Rize, Türkiye.
Background: Currently, obesity affects over 600 million individuals and is responsible for numerous severe health conditions, particularly diabetes and metabolic syndrome. The objective of our study was to examine the impact of white tea, known for its potent antioxidant properties, on the reduction in body weight as well as the levels of leptin and asprosin.
Methods: A total of 72 male Sprague-Dawley rats were randomly assigned to 9 groups, with each group consisting of 8 rats.
Medical therapy to treat obesity and optimize fertility in women of reproductive age: a narrative review.
Reprod Biol Endocrinol
January 2025
Departments of Internal Medicine and Obstetrics, Gynecology and Reproductive Sciences, Yale School of Medicine, 330 Cedar St, New Haven, CT, 06510, USA.
Background: Overweight and obesity-chronic illnesses in which an increase in body fat promotes adipose tissue dysfunction and abnormal fat mass resulting in adverse metabolic, biomechanical, and psychosocial health consequences-negatively impact female fertility. Adverse conception outcomes are multifactorial, ranging from poor oocyte quality and implantation issues to miscarriages and fetal health issues. However, with the advent of novel pharmacologic agents, significant weight loss can be achieved, improving the chances of healthy pregnancies, and their use should be considered during periconceptual counseling.
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