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Repurposing Approved Drugs for Ebola Virus Inhibition: A Molecular Docking Approach
The Ebola virus is a highly infectious pathogen with no effective antiviral treatments currently available, prompting ongoing research into potential therapeutic options. This study evaluated the inhibitory effects of licensed non-viral drugs on Ebola virus entry and replication using bioinformatic tools. A descriptive-analytical approach was used, in which the chemical structures of selected drugs were first generated in ChemDraw Ultra 10.0 and then energy-optimized in Hyperchem 8.0. Molecular docking was performed using AutoDock4.2 to simulate interactions between the drugs and viral proteins. The analysis revealed that the interactions involved primarily hydrophobic, π-π stacking, hydrogen bonding, and cation-π interactions. Chloroquine, diphenoxylate, and amodiaquine showed the strongest binding affinity, with the most negative docking energies, indicating their potential as effective inhibitors of the GP and VP40 proteins. Conversely, erythromycin and dirithromycin, due to their high hydrophilicity, exhibited weaker binding results. Overall, the study highlighted that drugs with hydrophobic components, effective hydrogen bonding, and tertiary amines tend to show enhanced anti-Ebola properties. The bioinformatic analysis suggests that these drugs could serve as promising candidates for inhibiting Ebola virus entry and replication.
EAMD 3
Original Research | Open access | 10 July 2024 | Article: 93

Pharmacological Activity of Metal-Based Organic Complexes Against Various Viral Infections
The demand for the development of therapeutic compounds targeting infectious diseases has surged over the past three years, particularly in response to the COVID-19 pandemic. This study aims to compile and analyze the pharmacological effects of metal-based organic complexes against a variety of viral infections, including COVID-19. A systematic review of the existing literature was conducted using databases such as Medline, Scopus, PubMed, and ScienceDirect. The methodology involved data gathering, summarization, and analysis of relevant studies. Antiviral activities are exhibited by metal complexes with various ligands, including hydrazones and thiosemi-carbazones (Pt(II), Pd(II), Ga(III), Pd(II), Co(III), Ni(II), Cu(II)), fluoroquinolones and quinolines (Pd(II)), phenylquinoline, phenylpyridine, tetrahydropyrimidines (Ag(I)), phenanthroline (Cu(II)), and valacyclovir (Cu(II)). Metal complexes containing Zn(II), Co(II), Cu(II), Ni(II), Mg(II), and Mn(II) have shown antiviral properties against DNA viruses, particularly herpes simplex viruses HSV-1 and HSV-2. HIV-inhibiting complexes have been identified with metals such as Au(II), Co(II), Cu(II), Fe(III), La(III), Mg(II), Ni(II), Pd(II), Pt(II), and Ru(II). In light of the persistent global spread of SARS-CoV-2, the development of effective treatments for COVID-19 remains a priority. Investigations into potential therapeutic agents for combating SARS-CoV-2 are focusing on compounds like auranofin and metal complexes of Cu(II), Ni(II), Mn(II), and Zn(II) combined with Coumarin.
EAMD 3
Systematic Review | Open access | 10 January 2026 | Article: 127