DFT Investigations and Molecular Docking as Potent Inhibitors of SARS-CoV-2 Main Protease of Novel Pyrimidine Dione Derivatives.
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| Title: | DFT Investigations and Molecular Docking as Potent Inhibitors of SARS-CoV-2 Main Protease of Novel Pyrimidine Dione Derivatives. |
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| Authors: | Shehab WS; Department of Chemistry, Faculty of Science, Zagazig University, Zagazig 44519, Egypt.; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Al-Farahidi University, Baghdad, Iraq., Mohammed JH; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Karbala, Karbala, Iraq., Magdy N; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Al-Farahidi University, Baghdad, Iraq., Zordok WA; Department of Chemistry, Faculty of Science, Zagazig University, Zagazig 44519, Egypt., Jaremko M; Biological and Environmental Science and Engineering (BESE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia., Elsayed DA; Department of Chemistry, Faculty of Science, Zagazig University, Zagazig 44519, Egypt.; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Al-Farahidi University, Baghdad, Iraq. |
| Source: | Biochemistry research international [Biochem Res Int] 2025 Aug 11; Vol. 2025, pp. 7961294. Date of Electronic Publication: 2025 Aug 11 (Print Publication: 2025). |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Wiley Country of Publication: United States NLM ID: 101546751 Publication Model: eCollection Cited Medium: Print ISSN: 2090-2247 (Print) NLM ISO Abbreviation: Biochem Res Int Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 2090-2247 |
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| DOI: | 10.1155/bri/7961294 |
