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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 10
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Research Articles

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

Cemal Parlaka Department of Physics, Science Faculty, Ege University, Izmir, Turkey
,
Özgür Alverb Department of Physics, Science Faculty, Eskisehir Technical University, Eskisehir, Turkey
,
Özge Bağlayanb Department of Physics, Science Faculty, Eskisehir Technical University, Eskisehir, TurkeyCorrespondence[email protected]
&
Ponnadurai Ramasamic Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit, Mauritius;d Department of Chemistry, College of Science, Engineering and Technology, University of South Africa, Pretoria, South Africa
Pages 4313-4320 | Received 30 Jan 2021, Accepted 10 Apr 2022, Published online: 01 May 2022

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Li Yan-mei, Li Cun-hong, Hu Peng, Wang Xiao-hua, Sirvan Petrosian & Wei Li. (2023) Identification of CH3F, CH3Cl, and CH3Br molecules by boron phosphide nanosheets: a DFT study. Molecular Physics 121:23.
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Articles from other publishers (4)

Gaddam Ramesh, P. Venkata Ramana Rao, K. Srishailam & B. Venkatram Reddy. (2023) Pyridinecarboxaldehydes: Structures, Vibrational Assignments and Molecular Characteristics Using Experimental and Theoretical Methods. Brazilian Journal of Physics 53:2.
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Özge Bağlayan, Cemal Parlak, Gökhan Dikmen & Özgür Alver. (2023) The quest of the most stable structure of a carboxyfullerene and its drug delivery limits: A DFT and QTAIM approach. Computational and Theoretical Chemistry 1221, pages 114036.
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Yiqun Chang, Bryson A. Hawkins, Jonathan J. Du, Paul W. Groundwater, David E. Hibbs & Felcia Lai. (2022) A Guide to In Silico Drug Design. Pharmaceutics 15:1, pages 49.
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Anu Jain, Ritutama Ghosh & Nand Kishore. (2022) Quantitative calorimetric and spectroscopic analysis of drug-drug interactions. Journal of Molecular Liquids 366, pages 120352.
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