Synthesis and in silico studies of novel pyrazole-based anti-MERS-CoV agents | ||
| Records of Pharmaceutical and Biomedical Sciences | ||
| Article 17, Volume 5, Chemistry - Serial Number 1, January 2021, Pages 121-134 PDF (1.47 M) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/rpbs.2021.73630.1100 | ||
| Authors | ||
| Marwa Elewa* 1; Mahitab Mohamed2; Mohamed Nafie3; Mohamed M. Said4; adel A. Elgendy2; yasmine abdel Aziz5 | ||
| 1Organic chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia, 41522, Egypt. | ||
| 2Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Misr international University, Obour, Egypt. | ||
| 3Chemistry Department, Faculty of Science, Suez Canal University, Ismailia, Egypt. | ||
| 4Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt | ||
| 5pharmaceutical organic chemistry faculty of pharmacy Suez canal university | ||
| Abstract | ||
| Middle East respiratory syndrome coronavirus MERS-CoV represents a big challenge for the healthcare system all over the world. In the present study, five new compounds 4-8 were synthesized and investigated as anti-MERS-CoV agents. The structures of all the new compounds 4-8 were justified by using micro-analytical and spectral data. Biological results showed that all the screened compounds might serve as promising anti-MERS-CoV agents. They showed CC50 ranging from 0.67 mM to 3.22 mM. This range is superior to the standard antiviral agent Favipiravir with CC50 >400 mM. The most active compounds 4 and 6 were further subjected to Plaque Reduction assay. They showed a promising inhibitory pattern. In silico molecular modeling was performed for all the target compounds 4-8 inside the active site of COVID-19 main protease (PDB: 6LU7) to rationalize their antiviral activity. Keywords anti-MERS-CoV, Favipiravir, pyrazole-based analogues, benzylidene carbohydrazide moiety, COVID-19 main protease (PDB: 6LU7), In silico studies | ||
| Keywords | ||
| anti-MERS-CoV; Favipiravir; pyrazole-based analogues; benzylidene carbohydrazide moiety; COVID-19 main protease (PDB: 6LU7) | ||
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