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Artificial Intelligence in Retrosynthesis Prediction and its Applications in Medicinal Chemistry.
J Med Chem
January 2025
Medicinal Chemistry and Bioinformatics Center, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China.
Retrosynthesis is a strategy to analyze the synthetic routes for target molecules in medicinal chemistry. However, traditional retrosynthesis predictions performed by chemists and rule-based expert systems struggle to adapt to the vast chemical space of real-world scenarios. Artificial intelligence (AI) has revolutionized retrosynthesis prediction in recent decades, significantly increasing the accuracy and diversity of predictions for target compounds.
View Article and Find Full Text PDFExplanatory review on DDR inhibitors: their biological activity, synthetic route, and structure-activity relationship.
Mol Divers
January 2025
Integrated Drug Discovery Centre, Department of Pharmaceutical Chemistry, Acharya & BM Reddy College of Pharmacy, Bengaluru, 560107, Karnataka, India.
Discoidin domain receptors (DDR) are categorized under tyrosine kinase receptors (RTKs) and play a crucial role in various etiological conditions such as cancer, fibrosis, atherosclerosis, osteoarthritis, and inflammatory diseases. The structural domain rearrangement of DDR1 and DDR2 involved six domains of interest namely N-terminal DS, DS-like, intracellular juxtamembrane, transmembrane juxtamembrane, extracellular juxtamembrane intracellular kinase domain, and the tail portion contains small C-tail linkage. DDR has not been explored to a wide extent to be declared as a prime target for any particular pathological condition.
View Article and Find Full Text PDFGrowth hormone-releasing hormone signaling and manifestations within the cardiovascular system.
Rev Endocr Metab Disord
January 2025
Interdisciplinary Stem Cell Institute, University of Miami Miller School of Medicine, Biomedical Research Building, 1501 N.W. 10th Avenue, Room 908, Miami, FL, 33136, USA.
Growth hormone (GH)-releasing hormone (GHRH), a hypothalamic peptide initially characterized for its role in GH regulation, has gained increasing attention due to its GH-independent action on peripheral physiology, including that of the cardiovascular system. While its effects on the peripheral vasculature are still under investigation, GHRH and synthetic agonists have exhibited remarkable receptor-mediated cardioprotective properties in preclinical models. GHRH and its analogs enhance myocardial function by improving contractility, reducing oxidative stress, inflammation, and offsetting pathological remodeling.
View Article and Find Full Text PDFPublisher Correction: Mechanisms underlying the interactions and adaptability of nitrogen removal microorganisms in freshwater sediments.
Adv Biotechnol (Singap)
July 2024
Marine Synthetic Ecology Research Center, Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai), School of Environmental Science and Engineering/Life Sciences/Ecology, Guangdong Provincial Observation and Research Station for Marine Ranching in Lingdingyang Bay, China-ASEAN Belt and Road Joint Laboratory On Mariculture Technology, State Key Laboratory for Biocontrol, Sun Yat-Sen University, Zhuhai, 519082, China.
Bio-nanopore technology for biomolecules detection.
Adv Biotechnol (Singap)
December 2024
School of Food Science and Technology, State Key Laboratory of Food Science and Resources, Jiangnan University, Wuxi, 214122, Jiangsu, China.
Bio-nanopore technology holds great promise in biomacromolecule detection, with its high throughput and low cost positioning it as an ideal detection tool. This technology employs a unique detection mechanism that utilizes nanoscale pores to rapidly and sensitively convert biological molecules interactions into electrical signals, enabling real-time, single-molecule detection with exceptional sensitivity. This review focuses on the latest advancements in this technology across various domains, including DNA and RNA sequencing, protein detection, and small molecule identification.
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