ArticleInternational journal of quantum chemistry2021
Distance based and bond additive topological indices of certain repurposed antiviral drug compounds tested for treating COVID-19.
Article in International journal of quantum chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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12 citing papers in PubMed.
- A QSPR study of coronary artery disease drugs using eccentricity-based indices.Scientific reports · 2025Article
- Article
- QSPR modeling of some COVID-19 drugs using neighborhood eccentricity-based topological indices: A comparative analysis.PloS one · 2025Article
- Several distance and degree-based molecular structural attributes of cove-edged graphene nanoribbons.Heliyon · 2024Article
- New reverse sum Revan indices for physicochemical and pharmacokinetic properties of anti-filovirus drugs.Frontiers in chemistry · 2024Article
- Entropy analysis of nickel(II) porphyrins network via curve fitting techniques.Scientific reports · 2023Article
- Evaluation of the Usefulness of Topological Indices for Predicting Selected Physicochemical Properties of Bioactive Substances with Anti-Androgenic and Hypouricemic Activity.Molecules (Basel, Switzerland) · 2023Article
- A Study on Efficient Technique for Generating Vertex-based Topological Characterization of Boric Acid 2D Structure.ACS omega · 2023Article
- Entropy Related toMolecules (Basel, Switzerland) · 2023Article
- Mathematical analysis and topology of SARS-CoV-2, bonding with cells and unbonding.Journal of mathematical analysis and applications · 2022Article
- A Comparative Study of the Lipophilicity of Metformin and Phenformin.Molecules (Basel, Switzerland) · 2021Article
- Distance based and bond additive topological indices of certain repurposed antiviral drug compounds tested for treating COVID-19.International journal of quantum chemistry · 2021Article
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4 authors.
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Abstract
The entire world is struggling to control the spread of coronavirus (COVID-19) as there are no proper drugs for treating the disease. Under clinical trials, some of the repurposed antiviral drugs have been applied to COVID-19 patients and reported the efficacy of the drugs with the diverse inferences. Molecular topology has been developed in recent years as an influential approach for drug design and discovery in which molecules that are structurally related show similar pharmacological properties. It permits a purely mathematical description of the molecular structure so that in the development of identification of new drugs can be found through adequate topological indices. In this paper, we study the structural properties of the several antiviral drugs such as chloroquine, hydroxychloroquine, lopinavir, ritonavir, remdesivir, theaflavin, nafamostat, camostat, umifenovir and bevacizumab by considering the distance and bond measures of chemical compounds. Our quantitative values of the topological indices are extremely useful in the recent development of designing new drugs for COVID-19.
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