Elaine F. Da Cunha
Cp 3037
Lavras, MG 37200000, Brazil
Lavras, MG 37200000, Brazil
Last Updated: 09/26/2026
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Found 55 publications
A Comprehensive Molecular Modeling Study of Phenyltriazolinone Derivatives as Protoporphyrinogen Oxidase (PPO) Inhibitors.
Journal: Chemistry & biodiversity
Published: December 15, 2025
In silico design of benzothiazole and phthalimide-derived hybrids as protoporphyrinogen IX oxidase inhibitors.
Journal: SAR and QSAR in environmental research
Published: May 06, 2025
Nanoparticles and bioactive materials against COVID-19 and its variants: Hints from a computational-materials design perspective.
Journal: Computers in biology and medicine
Published: July 08, 2024
Fluorinated benzoxazinones designed via MIA-QSAR, docking and molecular dynamics as protoporphyrinogen IX oxidase inhibitors.
Journal: Journal of the science of food and agriculture
Published: December 05, 2023
Vanadium complex as a potential modulator of the autophagic mechanism through proteins PI3K and ULK1: development, validation and biological implications of a specific force field for [VO(bpy)2Cl].
Journal: Journal of biomolecular structure & dynamics
Published: August 23, 2023
Silver(I) and Copper(II) 1,10-Phenanthroline-5,6-dione Complexes as Promising Antivirulence Strategy against Leishmania: Focus on Gp63 (Leishmanolysin).
Journal: Tropical medicine and infectious disease
Published: June 09, 2023
Study of two combined series of triketones with HPPD inhibitory activity by molecular modelling.
Journal: SAR and QSAR in environmental research
Published: March 23, 2023
Enhanced Sampling in Molecular Dynamics Simulations: How Many MD Snapshots can be Needed to Reproduce the Biological Behavior?
Journal: Mini reviews in medicinal chemistry
Published: February 22, 2023
Molecular Dynamics-Assisted Interaction of Vanadium Complex-AMPK: From Force Field Development to Biological Application for Alzheimer's Treatment.
Journal: The journal of physical chemistry. B
Published: January 05, 2023
Parameterization and validation of a new AMBER force field for an oxovanadium (IV) complex with therapeutic potential implications in Alzheimer's disease.
Journal: Journal of molecular graphics & modelling
Published: December 21, 2022
Multivariate image analysis applied to quantitative structure-activity relationships and docking studies of recent hydroxyphenylpyruvate deoxygenase inhibitors.
Journal: Journal of the science of food and agriculture
Published: October 27, 2022
Evaluation of autophagy inhibition to combat cancer: (vanadium complex)-protein interactions, parameterization, and validation of a new force field.
Journal: Journal of molecular modeling
Published: September 29, 2022
Last Updated: 09/26/2026