Molecular modeling aided design, synthesis and biological evaluation of quinazoline derivatives for the treatment of human cancer.

The quinazoline scaffold serves as a fundamental framework, demonstrating potent anti-tumor activity. Employing the pharmacophore-based scaffold hopping principle, we successfully synthesized a series of FAK/PLK1 inhibitors incorporating the quinazoline scaffold. The synthesized compounds were characterized using H NMR, C NMR, and HRMS techniques.

Cianidanol from Sea Buckthorn Exert Anti-Inflammatory Effects by the Inhibiting JAK2/STAT3 Signaling Pathway via an Integrative Pharmacology Strategy.

Sea buckthorn is a model of medicine and food homology, but the chemical composition and mechanism of anti-inflammatory effects are limited. In this study, the key components and mechanisms of the anti-inflammatory effects of sea buckthorn were identified based on UPLC-Q-TOF-MS, network pharmacology, molecular docking, molecular dynamics and RAW264.7 cells.

Therapeutic Potential of GLP-1 Receptor Agonists in Diabetes and Cardiovascular Disease: Mechanisms and Clinical Implications.

Background: Glucagon-like peptide-1 (GLP-1) is a crucial incretin hormone secreted by intestinal endocrine L cells. Given its pivotal physiological role, researchers have developed GLP-1 receptor agonists (GLP-1 RAs) through structural modifications. These analogues display pharmacological effects similar to those of GLP-1 but with augmented stability and are regarded as an effective means of regulating blood glucose levels in clinical practice.

Deep learning-based MVIT-MLKA model for accurate classification of pancreatic lesions: a multicenter retrospective cohort study.

Background: Accurate differentiation between benign and malignant pancreatic lesions is critical for effective patient management. This study aimed to develop and validate a novel deep learning network using baseline computed tomography (CT) images to predict the classification of pancreatic lesions.

Methods: This retrospective study included 864 patients (422 men, 442 women) with confirmed histopathological results across three medical centers, forming a training cohort, internal testing cohort, and external validation cohort.

Shifts of abundance and community composition of nitrifying microbes along the Changjiang Estuary to the East China Sea.

Nitrification, the oxidation of ammonium to nitrate via nitrite, links nitrogen fixation and nitrogen loss processes, playing key roles in coastal nitrogen cycle. However, few studies have simultaneously examined both ammonia-oxidizing and nitrite-oxidizing microbes. This work investigated the abundance and community structure of ammonia-oxidizing archaea (AOA), ammonia-oxidizing bacteria (AOB), and nitrite-oxidizing bacteria (NOB) using archaeal amoA gene, bacterial amoA gene, and NOB nxrB gene, respectively, through q-PCR and Sanger sequencing along the Changjiang Estuary salinity gradient.