This Synopsis covers recent reports of metal-catalyzed alkene functionalizations that likely involve iterative outer-sphere reactions in which the substrate reacts directly with a metal ligand instead of with the metal center itself. Traditional metal hydride-catalyzed alkene functionalizations involve this latter pathway whereby the alkene forms part of the metal ligand sphere (i.e. an inner-sphere reaction). In contrast, alkenes do not ligate the metal in so-called outer-sphere reactions and instead react with a metal ligand. These transformations have proved crucial for the synthesis of high fraction sp (F3) targets, especially in hindered fragment couplings of relevance to natural product space.
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http://dx.doi.org/10.1021/acs.joc.4c00260 | DOI Listing |
Pharmaceutics
January 2025
Laboratory of Nuclear Medicine (LIM-43), Hospital das Clinicas HCFMUSP, Faculdade de Medicina, Universidade de Sao Paulo, Sao Paulo 05403-911, SP, Brazil.
Background/objectives: Dithiocarbazates (DTCs) and their metal complexes have been studied regarding their property as anticancer activities. In this work, using S-benzyl-5-hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pirazol-1-carbodithionate (Hbdtc), we prepared [ReO(bdtc)(Hbdtc)] and [[Tc]TcO(bdtc)(Hbdtc)] complexes for tumor uptake and animal biodistribution studies.
Methods: Re complex was prepared by a reaction of H2bdtc and (NBu)[ReOCl], the final product was characterized by IR, H NMR, CHN, and MS-ESI.
Molecules
January 2025
Department of Organic Chemistry, Faculty of Chemical Engineering and Technology, University of Zagreb, Trg Marka Marulića 19, HR-10 000 Zagreb, Croatia.
Considering our previous experience in the design of new cholinesterase inhibitors, especially resveratrol analogs, in this research, the basic stilbene skeleton was used as a structural unit for new carbamates designed as potentially highly selective butyrylcholinesterase (BChE) inhibitors with excellent absorption, distribution, metabolism, excretion and toxicity ADMET properties. The inhibitory activity of newly prepared carbamates - was tested toward the enzymes acetylcholinesterase (AChE) and BChE. In the tested group of compounds, the leading inhibitors were and , which achieved excellent selective inhibitory activity for BChE with IC values of 0.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Department of Drug and Health Sciences, University of Catania, Viale A. Doria 6, 95125 Catania, Italy.
Precise binding free-energy predictions for ligands targeting metalloproteins, especially zinc-containing histone deacetylase (HDAC) enzymes, require specialized computational approaches due to the unique interactions at metal-binding sites. This study evaluates a docking algorithm optimized for zinc coordination to determine whether it could accurately differentiate between protonated and deprotonated states of hydroxamic acid ligands, a key functional group in HDAC inhibitors (HDACi). By systematically analyzing both protonation states, we sought to identify which state produces docking poses and binding energy estimates most closely aligned with experimental values.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Institute of Quality Standard and Testing Technology, Beijing Academy of Agriculture and Forestry Science, Beijing 100097, China.
The design of efficient advanced oxidation processes (AOPs) in the presence of bicarbonate has long attracted considerable attention in the field of environmental catalysis. In this study, sodium bicarbonate (NaHCO) as one of the most abundant substances in actual water, was introduced to a NaClO/Ru(III) system to enhance the removal of acid orange 7(AO7). NaHCO could significantly improve the removal efficiency of the Ru(III)/NaClO process in HCO at a pH range of 6.
View Article and Find Full Text PDFBiology (Basel)
December 2024
Faculty of Basic Sciences, King Salman International University (KSIU), Ras Sudr 46612, South Sinai, Egypt.
Antimicrobial resistance (AMR) poses a critical global health threat, driving the search for alternative treatments to conventional antibiotics. In this study, the antibacterial properties of honeybee venom (BV) and fungal red dye (RD) were evaluated against three multidrug-resistant bacterial pathogens. Extracts of BV and RD exhibited dose-dependent antibacterial activity against the three tested bacteria, with their strongest effectiveness against (minimum inhibitory concentrations [MIC] = 3.
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