Dataset Information

?-Cation Interactions in Molecular Recognition: Perspectives on Pharmaceuticals and Pesticides.

ABSTRACT: The ?-cation interaction that differs from the cation-? interaction is a valuable concept in molecular design of pharmaceuticals and pesticides. In this Perspective we present an up-to-date review (from 1995 to 2017) on bioactive molecules involving ?-cation interactions with the recognition site, and categorize into systems of inhibitor-enzyme, ligand-receptor, ligand-transporter, and hapten-antibody. The concept of ?-cation interactions offers use of ? systems in a small molecule to enhance the binding affinity, specificity, selectivity, lipophilicity, bioavailability, and metabolic stability, which are physiochemical features desired for drugs and pesticides.

SUBMITTER: Liang Z

PROVIDER: S-EPMC7357627 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature

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Publications

π-Cation Interactions in Molecular Recognition: Perspectives on Pharmaceuticals and Pesticides.

Liang Zhibin Z Li Qing X QX

Journal of agricultural and food chemistry 20180321 13

The π-cation interaction that differs from the cation-π interaction is a valuable concept in molecular design of pharmaceuticals and pesticides. In this Perspective we present an up-to-date review (from 1995 to 2017) on bioactive molecules involving π-cation interactions with the recognition site, and categorize into systems of inhibitor-enzyme, ligand-receptor, ligand-transporter, and hapten-antibody. The concept of π-cation interactions offers use of π systems in a small molecule to enhance th ...[more]

PMID: 29522678

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Project description:The Alexander micro-estuary, located at the eastern edge of the Mediterranean Sea, is a typical example of small water bodies that suffer from a combination of urban and agricultural pollution, and overuse of its natural water sources. It is∼6.5 km long, with maximum depth of 3 m and maximum width of 45 m. To evaluate the anthropogenic stress on the system and its ability to mitigate pollution, water samples were collected within the framework of Ruppin's Estuarine and Coastal Observatory [1]. Water samples were collected from the estuary head, which drains about 510 km2, and at a point 300 m upstream from the estuary mouth before water flows into the Mediterranean Sea. A total of 236 stormwater and 44 base-flow water samples between December 2016 and December 2018. Stormwater samples were collected every 0.25 - 4 h along the entire course of the flow events using an automated samplers (Sigma 900, Hach Company, Loveland CO, USA; and ISCO 3700 Full-Size Portable Sampler, Teledyne, Lincoln, NE, USA). Base-flow samples were taken once a month using a horizontal grab sampler (5 L, model 110B, OceanTest Equipment, Fort Lauderdale, FL, USA). All samples were filtered using 90mmGF/F filters (nominal pore size of 0.7 µm, MGF, Sartorius, Göttingen, Germany) and immediately frozen (-20°C) before chemical analysis. Chemical analysis was performed using liquid chromatography with high-resolution mass spectrometry (LC-HRMS) analysis using a QExactive Plus hybrid FT mass spectrometer coupled with a Dionex Ultimate 3000 RS UPLC (Thermo Fisher Scientific, Waltham, MA, USA). The targeted analysis, which included 15 fungicides, 25 herbicides, 18 Insecticides, and 19 pharmaceuticals, concluded with a total of 21,142 entries. All entries are organized in a worksheet, along with location, date, flood section duration, discharge rate, and the total water volume discharged during the relevant period. The provided data offers an opportunity to explore the sources, transport, and impact of a large mixture of organic pollutants in a confined aquatic system located in an urbanized coastal environment.

Dataset Information

?-Cation Interactions in Molecular Recognition: Perspectives on Pharmaceuticals and Pesticides.

Publications

π-Cation Interactions in Molecular Recognition: Perspectives on Pharmaceuticals and Pesticides.

Similar Datasets

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