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Efforts to modify the central proline portion of lead compound 4 lead to the discovery of novel prolylcarboxypeptidase (PrCP) inhibitors. Especially, replacement with alanine afforded compound 19 displaying more potent human and mouse PrCP inhibitory activity than 4 and an overall comparable profile.
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http://dx.doi.org/10.1016/j.bmcl.2011.12.064 | DOI Listing |
Food Res Int
November 2025
School of Life Sciences, Mianyang Normal University, Mianyang City, Sichuan Province 621000, China. Electronic address:
As a dual-purpose medicinal and edible plant, Ocimum species offer significant pharmacological potential through their alkaloid metabolites. This study comprehensively analyzed alkaloid profiles in 10 Ocimum accessions using ultra performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS), integrated with network pharmacology, molecular docking, and transcriptome sequencing to elucidate key pharmacological targets, therapeutic potentials, and biosynthetic pathways. We identified 191 alkaloids categorized into eight classes, with phenolamine and plumerane alkaloids predominating.
View Article and Find Full Text PDFJ Pept Sci
October 2025
School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing, China.
Targeting thrombin to screen safe thrombin inhibitors from natural plants and animals is a critical direction in anticoagulant drug development. This study aimed to screen thrombin inhibitors from the nonbloodsucking leech Whitmania pigra (WP) and elucidate the mechanism of anticoagulation through a "computation-guided experimentation" strategy. A peptide library was constructed from WP hydrolysates, and virtual screening was performed using molecular docking and dynamics simulations.
View Article and Find Full Text PDFChem Biodivers
September 2025
Department of Chemistry, Govt. Raza P.G. College, Rampur, India.
Parasitic diseases continue to be a major public health burden, particularly in low- and middle-income countries. With the emergence of drug-resistant strains and limitations of current therapies, there is a growing interest in natural products as alternative treatment options. Coumarins, a diverse class of plant-derived secondary metabolites, have shown significant potential as antiparasitic agents.
View Article and Find Full Text PDFJ Vis Exp
August 2025
Professor & Head, Department of Artificial Intelligence and Machine Learning, K S Institute of Technology.
Knee osteoarthritis (KOA) affects millions of individuals worldwide and has no known curative treatment, making it a serious global health concern. The management of its development depends on early discovery, and X-ray imaging is a fundamental diagnostic technique. However, due to variations in radiologists' levels of experience, manual X-ray interpretation increases variability and possible inaccuracies.
View Article and Find Full Text PDFFront Microbiol
August 2025
BIOASTER, Lyon, France.
We propose an innovative technology to classify the Mechanism of Action (MoA) of antimicrobials and predict their novelty, called HoloMoA. Our rapid, robust, affordable and versatile tool is based on the combination of time-lapse Digital Inline Holographic Microscopy (DIHM) and Deep Learning (DL). In combination with hologram reconstruction.
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