Pedro Neto-De Lima
Fortaleza, CE, Brazil
Last Updated: 09/26/2026
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Found 31 publications
Computational investigation of behavioral toxicity syndromes (BTS) of synthetics halosubstituted semicarbazones.
Journal: In silico pharmacology
Published: August 23, 2025
Ligand and structure-based toxicological assessment of (thio)semicarbazones on cholinesterases.
Journal: Journal of computer-aided molecular design
Published: August 14, 2025
Natural chlocarbazomycins as potential adenosine A1 receptor antagonists: ligand-based and structure-based virtual screening, quantum chemical analysis and CNS MPO study.
Journal: Molecular diversity
Published: July 01, 2025
Coumarin benzamide scaffold as potential 5-HT2C inhibitors: a multiparametric investigation and molecular simulation.
Journal: Journal of molecular modeling
Published: February 14, 2025
Structure and Ligand Based Virtual Screening and MPO Topological Analysis of Triazolo Thiadiazepine-fused Coumarin Derivatives as Anti-Parkinson Drug Candidates.
Journal: Molecular biotechnology
Published: April 15, 2024
Analysis of temperature effect in the CO2 absorption using a deep eutectic solvent: An in silico approach.
Journal: Journal of molecular graphics & modelling
Published: July 25, 2023
A mechanistic insight for the biosynthesis of N,N-dimethyltryptamine: An ONIOM theoretical approach.
A mechanistic insight for the biosynthesis of N,N-dimethyltryptamine: An ONIOM theoretical approach.
Journal: Biochemical and biophysical research communications
Published: June 09, 2023
The search for new efficient inhibitors of SARS-COV-2 through the De novo drug design developed by artificial intelligence.
Journal: Journal of biomolecular structure & dynamics
Published: November 24, 2022
Sulfonamide derived from anacardic acid as potential antichagasic: a theoretical approach based on molecular docking, molecular dynamics, and density functional theory calculations.
Journal: Journal of molecular modeling
Published: October 24, 2022
(Bio)Sensing Strategies Based on Ionic Liquid-Functionalized Carbon Nanocomposites for Pharmaceuticals: Towards Greener Electrochemical Tools.
Journal: Nanomaterials (Basel, Switzerland)
Published: June 15, 2022
Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity on Trypanosoma cruzi (Y strain) of chalcone (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one derived from a natural product.
Journal: Physical chemistry chemical physics : PCCP
Published: February 10, 2022
Last Updated: 09/26/2026