Iso‐ and Benzisothiazolinone Inhibitors of Monoacylglycerol Lipase: Exploring On‐Target Activity Through Scaffold Decoration and In Situ Warhead Generation [PDF]
ChemMedChem, Volume 21, Issue 16, 27 August 2026.We explore covalent allosteric targeting of MGL regulatory cysteines using iso‐ and benzisothiazolinone scaffolds. Combining mechanism‐based warhead release with structure‐guided scaffold decoration to improve molecular recognition, this study probes strategies to achieve selective on‐target engagement beyond the catalytic site. Monoacylglycerol lipase
Edoardo Rocca +12 more
wiley +2 more sources
One‐Shot Pd(II)‐Catalyzed Multiple C–H Activation Enables Modular Construction of Fluorenylidene Oxindole‐Based Multi(Polycyclic) Aromatic Enes [PDF]
Chemistry – A European Journal, Volume 32, Issue 38, 13 October 2026.A one‐shot Pd(II)‐catalyzed C─H activation strategy enables the rapid conversion of simple linear propiolamides into structurally diverse mono‐, di‐, and tri‐olefin‐bridged MPAEs. This cascade process orchestrates up to six sequential C–H activations in a single operation, providing streamlined access to highly conjugated architectures.
Haiyu Wang +4 more
wiley +2 more sources
Aminoisothiazolamides, a new class of potent inhibitors of lysyl‐tRNA synthetase [PDF]
Pest Management Science, Volume 81, Issue 7, Page 3956-3983, July 2025.The present work covers a series of novel herbicidal lead structures that possess an aminoisothiazolamide scaffold as a structural key feature. Lysyl‐tRNA synthetase 1 (KRS1) was identified as the biochemical mode‐of‐action. Based on optimized and tailored synthetic approaches, a broader SAR study was carried out delivering some lead structures that ...
David Bernier +26 more
wiley +2 more sources
Synthesis, Structure, and Antitumor Activity of Heterocyclic 2-[4-(Dimethylamino)benzyl]-3-oxoisoindoline-4-carboxylates [PDF]
MoleculesIn this study, the synthesis of a series of alkaloid analogs—isoxazole and isothiazole esters of 2-substituted 3-oxoindoline-4-carboxylic acid was performed. The target derivatives were obtained by the carbodiimide method.
Gulim K. Mukusheva +12 more
doaj +2 more sources
Studies on the Complexation of Platinum(II) by Some 4-Nitroisothiazoles and the Cytotoxic Activity of the Resulting Complexes [PDF]
MoleculesFive novel platinum(II) complexes C1–C5 were synthesized in the reaction of the appropriate substituted 4-nitroisothiazoles with K2PtCl4 and characterized with elemental analysis, ESI MS spectrometry, NMR spectroscopy, and IR spectroscopy.
Andrzej Regiec +4 more
doaj +2 more sources
ANN-QSAR, Molecular Docking, ADMET Predictions, and Molecular Dynamics Studies of Isothiazole Derivatives to Design New and Selective Inhibitors of HCV Polymerase NS5B [PDF]
PharmaceuticalsBackground/Objectives: RNA polymerase (NS5B), serves as a crucial target for pharmaceutical interventions aimed at combating the hepatitis C virus (HCV), which poses significant health challenges worldwide.
Maroua Fattouche +8 more
doaj +2 more sources
Adults of Sun Coral Tubastraea coccinea (Lesson 1829) Are Resistant to New Antifouling Biocides [PDF]
ToxicsBiocides used in antifouling (AF) paints, such as 4,5-dichlorine-2-n-octyl-4-isothiazole-3-one (DCOIT), can gradually leach into the environment. Some AF compounds can persist in the marine environment and cause harmful effects to non-target organisms ...
Isabela Martins +2 more
doaj +2 more sources
Design and Synthesis of Pyrimidine Amine Containing Isothiazole Coumarins for Fungal Control [PDF]
ACS Omega, 2023 Kun Li +5 more
doaj +2 more sources
One-Pot Silylation–Amination Synthesis of 3‑N‑Substituted Benzo[d]isothiazole 1,1-Dioxides [PDF]
ACS OmegaGuilherme Arraché Gonçalves +8 more
doaj +2 more sources
Zeitschrift für Kristallographie - New Crystal Structures, 2023 C11H6Cl2N2O3S2, triclinic, P1‾ (no. 2), a = 6.974(3) Å, b = 8.132(3) Å, c = 12.349(5) Å, α = 86.123(4)°, β = 78.299(4)°, γ = 85.715(4)°, V = 682.9(4) Å3, Z = 2, R gt(F) = 0.0410, wR ref(F 2) = 0.1058, T = 296(2) K.
Cong Huang +4 more
doaj +1 more source