Literature DB >> 25895669

An interactive database to explore herbicide physicochemical properties.

Michael N Gandy1, Maxime G Corral, Joshua S Mylne, Keith A Stubbs.   

Abstract

Herbicides are an essential tool not only in weed management, but also in conservation tillage approaches to cropping. The first commercial herbicides were released in the 1940s and hundreds more since then, although genetic resistance to them is an issue. Here, we review the experimental and estimated physicochemical properties of 334 successful herbicidal compounds and make available a dynamic electronic database containing detailed analyses of the main chemical properties for herbicides and which adopts the Simplified Molecular-Input Line-Entry System (SMILES) for describing the structure of chemical molecules. This fully available resource allows for the rapid comparison of potential new herbicidal compounds to the chemical properties of known herbicides.

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Year:  2015        PMID: 25895669     DOI: 10.1039/c5ob00469a

Source DB:  PubMed          Journal:  Org Biomol Chem        ISSN: 1477-0520            Impact factor:   3.876


  12 in total

1.  Combined molecular docking and QSAR study of fused heterocyclic herbicide inhibitors of D1 protein in photosystem II of plants.

Authors:  Simona Funar-Timofei; Ana Borota; Luminita Crisan
Journal:  Mol Divers       Date:  2017-03-16       Impact factor: 2.943

2.  X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.

Authors:  Souvik Banerjee; Foyez Mahmud; Shanshan Deng; Lingling Ma; Mi-Kyung Yun; Sayo O Fakayode; Kinsie E Arnst; Lei Yang; Hao Chen; Zhongzhi Wu; Pradeep B Lukka; Keyur Parmar; Bernd Meibohm; Stephen W White; Yuxi Wang; Wei Li; Duane D Miller
Journal:  J Med Chem       Date:  2021-08-18       Impact factor: 8.039

3.  Molecular modelling guided design, synthesis and QSAR analysis of new small molecule non-lipid autotaxin inhibitors.

Authors:  Souvik Banerjee; Derek D Norman; Shanshan Deng; Sayo O Fakayode; Sue Chin Lee; Abby L Parrill; Wei Li; Duane D Miller; Gabor J Tigyi
Journal:  Bioorg Chem       Date:  2020-08-26       Impact factor: 5.275

4.  Herbicidal properties of antimalarial drugs.

Authors:  Maxime G Corral; Julie Leroux; Keith A Stubbs; Joshua S Mylne
Journal:  Sci Rep       Date:  2017-03-31       Impact factor: 4.379

Review 5.  Current Status and Future Prospects in Herbicide Discovery.

Authors:  Franck E Dayan
Journal:  Plants (Basel)       Date:  2019-09-11

6.  Theoretical QSAR modelling and molecular docking studies of some 4-hydroxyphenylpyruvate dioxygenase (HPPD) enzyme inhibitors potentially used as herbicides.

Authors:  Saidu Tukur; Gideon Adamu Shallangwa; Abdulkadir Ibrahim
Journal:  Heliyon       Date:  2019-11-19

7.  Inhibition of chloroplast translation as a new target for herbicides.

Authors:  Kirill V Sukhoverkov; Karen J Breese; Aleksandra W Debowski; Monika W Murcha; Keith A Stubbs; Joshua S Mylne
Journal:  RSC Chem Biol       Date:  2021-11-10

Review 8.  Epigenetics in neurodegenerative disorders induced by pesticides.

Authors:  Guangxia Yu; Qianqian Su; Yao Chen; Lingyan Wu; Siying Wu; Huangyuan Li
Journal:  Genes Environ       Date:  2021-12-10

9.  Comprehensive machine learning based study of the chemical space of herbicides.

Authors:  Davor Oršolić; Vesna Pehar; Tomislav Šmuc; Višnja Stepanić
Journal:  Sci Rep       Date:  2021-06-01       Impact factor: 4.379

Review 10.  Evaluating New Chemistry to Drive Molecular Discovery: Fit for Purpose?

Authors:  Daniel J Foley; Adam Nelson; Stephen P Marsden
Journal:  Angew Chem Int Ed Engl       Date:  2016-08-30       Impact factor: 15.336

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