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

Computational QSAR studies together with molecular docking calculations have been performed on 118 different derivatives of organic molecules potentially used as herbicides. The Becke's three parameter exchange functional (B3) hybrid with Lee, Yang and Parr correlation functional (LYP), termed...

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Detalles Bibliográficos
Autores principales: Tukur, Saidu, Shallangwa, Gideon Adamu, Ibrahim, Abdulkadir
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6872840/
https://www.ncbi.nlm.nih.gov/pubmed/31768442
http://dx.doi.org/10.1016/j.heliyon.2019.e02859

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6872840/
https://www.ncbi.nlm.nih.gov/pubmed/31768442
http://dx.doi.org/10.1016/j.heliyon.2019.e02859

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