Theoretical insights of the drug-drug interaction between favipiravir and ibuprofen: a DFT, QTAIM and drug-likeness investigation-Reference-Cited by-同舟云学术

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Theoretical insights of the drug-drug interaction between favipiravir and ibuprofen: a DFT, QTAIM and drug-likeness investigation

Published:2022-05-01 Issue: Volume: Page:1-8
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Parlak Cemal¹,Alver Özgür²,Bağlayan Özge²,Ramasami Ponnadurai³⁴

Affiliation:

1. Department of Physics, Science Faculty, Ege University, Izmir, Turkey

2. Department of Physics, Science Faculty, Eskisehir Technical University, Eskisehir, Turkey

3. Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit, Mauritius

4. Department of Chemistry, College of Science, Engineering and Technology, University of South Africa, Pretoria, South Africa

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2066022

Reference56 articles.

1. Linear scaling second-order Moller–Plesset theory in the atomic orbital basis for large molecular systems

2. Favipiravir: A new and emerging antiviral option in COVID-19

3. Drug repurposing: Fusidic acid as a potential inhibitor of M. tuberculosis FtsZ polymerization – Insight from DFT calculations, molecular docking and molecular dynamics simulations

4. In vitro cytotoxicity and druglikeness of pyrazolines and pyridines bearing benzofuran moiety

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1. Electrochemical properties of lithium metal doped C60 fullerene for battery applications;Materials Science in Semiconductor Processing;2024-06

2. Spectroscopic characterization and quantum chemical calculations on Favipiravir-Guanine biomolecular complex;Spectroscopy Letters;2024-05-16

3. INTERACTIONS OF ANTIDEPRESSANT ESCITALOPRAM WITH ACETIC ACID AND LACTIC ACID: DFT AND MOLECULAR DOCKING ANALYSES;Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B - Teorik Bilimler;2024-02-27

4. Monohalogenated methyl- and methoxy-benzoic acids: A combined experimental and quantum chemical theoretical study on their structure, vibrational analysis and molecular parameters;Journal of Molecular Structure;2024-02

5. Exploring non-covalent interactions between caffeine and ascorbic acid: their significance in the physical chemistry of drug efficacy;Zeitschrift für Physikalische Chemie;2023-12-04

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