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Ligand-based virtual screening,molecular docking,and molecular dynamics of eugenol analogs as potential acetylcholinesterase inhibitors with biological activity against Spodoptera frugiperda
Authors:Méndez-Álvarez  Domingo  Herrera-Mayorga  Verónica  Juárez-Saldivar  Alfredo  Paz-González  Alma D.  Ortiz-Pérez  Eyra  Bandyopadhyay  Debasish  Pérez-Sánchez  Horacio  Rivera  Gildardo
Affiliation:1.Laboratorio de Biotecnología Farmacéutica, Centro de Biotecnología Genómica, Instituto Politécnico Nacional, 88710, Reynosa, Tamaulipas, México
;2.Departamento de Ingeniería Bioquímica, Unidad Académica Multidisciplinaria Mante, Universidad Autónoma de Tamaulipas, 89840, Mante, Tamaulipas, México
;3.Department of Chemistry and SEEMS, University of Texas Rio Grande Valley, Edinburg, TX, 78539, USA
;4.Structural Bioinformatics and High-Performance Computing Research Group (BIO-HPC), Computer Engineering Department, Universidad Católica San Antonio De Murcia (UCAM), 30107, Murcia, Spain
;
Abstract:Molecular Diversity - The development of new, more selective, environmental-friendly insecticide alternatives is in high demand for the control of Spodoptera frugiperda (S. frugiperda). The major...
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