Alejandro Bayuelo-Morales

Cartagena, BOL, Colombia

Last Updated: 09/26/2026

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Found 20 publications

Design and synthesis of 2,5-di(pyridin-4-yl)-1,3,4-oxadiazole: structural elucidation, DFT insights, and preliminary in silico biological evaluation.

Design and synthesis of 2,5-di(pyridin-4-yl)-1,3,4-oxadiazole: structural elucidation, DFT insights, and preliminary in silico biological evaluation.

Journal: Scientific reports

Published: April 20, 2026

Systemic Effects of Oral Antibiotics in Mice: A Combined Physiological and Molecular Approach.

Systemic Effects of Oral Antibiotics in Mice: A Combined Physiological and Molecular Approach.

Journal: Biomolecules

Published: January 23, 2026

Unraveling unusual torquoselectivity in ring-opening electrocyclic reactions: a DFT perspective.

Unraveling unusual torquoselectivity in ring-opening electrocyclic reactions: a DFT perspective.

Journal: Physical chemistry chemical physics : PCCP

Published: December 10, 2025

Evaluation of the Anticancer Effects of DODP on Gene Expression and Oxidative Stress in Gastric Cancer: An Integrated Docking, Bioinformatics, and Experimental Approach.

Evaluation of the Anticancer Effects of DODP on Gene Expression and Oxidative Stress in Gastric Cancer: An Integrated Docking, Bioinformatics, and Experimental Approach.

Journal: Life (Basel, Switzerland)

Published: November 12, 2025

Comprehensive Investigation of a Novel Schiff Base: Synthesis, Anticancer Efficacy, Gene Expression Profiling, and Computational Analyses.

Comprehensive Investigation of a Novel Schiff Base: Synthesis, Anticancer Efficacy, Gene Expression Profiling, and Computational Analyses.

Journal: Pharmaceuticals (Basel, Switzerland)

Published: October 24, 2025

Study of the pericyclic [2π + 4π] nature of a set of cheletropic reactions: analysis of the electronic reaction mechanism through bond reactivity descriptors and the electronic bonding structure.

Study of the pericyclic [2π + 4π] nature of a set of cheletropic reactions: analysis of the electronic reaction mechanism through bond reactivity descriptors and the electronic bonding structure.

Journal: Journal of molecular modeling

Published: May 14, 2025

Study anti-viral drugs for their efficiency against multiple SARS CoV-2 drug targets within molecular docking, molecular quantum similarity, and chemical reactivity indices frameworks.

Study anti-viral drugs for their efficiency against multiple SARS CoV-2 drug targets within molecular docking, molecular quantum similarity, and chemical reactivity indices frameworks.

Journal: F1000Research

Published: December 04, 2024

Understanding the high electronic quantum similarity of a series of ligands used as inhibitors of the SARS-CoV-2 virus by molecular mechanics and density functional theory approaches.

Understanding the high electronic quantum similarity of a series of ligands used as inhibitors of the SARS-CoV-2 virus by molecular mechanics and density functional theory approaches.

Journal: F1000Research

Published: February 02, 2024

New findings on ligand series used as SARS-CoV-2 virus inhibitors within the frameworks of molecular docking, molecular quantum similarity and chemical reactivity indices.

New findings on ligand series used as SARS-CoV-2 virus inhibitors within the frameworks of molecular docking, molecular quantum similarity and chemical reactivity indices.

Journal: F1000Research

Published: December 06, 2023

Receptor-Based Pharmacophore Modelling of a series of ligands used as inhibitors of the SARS-CoV-2 virus by complementary theoretical approaches, molecular docking, and reactivity descriptors.

Receptor-Based Pharmacophore Modelling of a series of ligands used as inhibitors of the SARS-CoV-2 virus by complementary theoretical approaches, molecular docking, and reactivity descriptors.

Journal: F1000Research

Published: April 27, 2023

Exploring the maximum Fukui function sites with the frontier-controlled soft-soft reactions using 1,3-dipolar cycloaddition reactions of nitrilium betaines.

Exploring the maximum Fukui function sites with the frontier-controlled soft-soft reactions using 1,3-dipolar cycloaddition reactions of nitrilium betaines.

Journal: Journal of molecular modeling

Published: December 23, 2021

New insights of QTAIM and stress tensor to finding non-competitive/competitive torquoselectivity of cyclobutene.

New insights of QTAIM and stress tensor to finding non-competitive/competitive torquoselectivity of cyclobutene.

Journal: The Journal of chemical physics

Published: December 02, 2021

Showing 1-12 of 20

Last Updated: 09/26/2026