Synthesis and in silico studies of novel pyrazole-based anti-MERS-CoV agents
Elewa, M., Mohamed, M., Nafie, M., Said, M., Elgendy, A., abdel Aziz, Y. (2021). Synthesis and in silico studies of novel pyrazole-based anti-MERS-CoV agents. EKB Journal Management System, 5(Chemistry), 121-134. doi: 10.21608/rpbs.2021.73630.1100
Marwa Elewa; Mahitab Mohamed; Mohamed Nafie; Mohamed M. Said; adel A. Elgendy; yasmine abdel Aziz. "Synthesis and in silico studies of novel pyrazole-based anti-MERS-CoV agents". EKB Journal Management System, 5, Chemistry, 2021, 121-134. doi: 10.21608/rpbs.2021.73630.1100
Elewa, M., Mohamed, M., Nafie, M., Said, M., Elgendy, A., abdel Aziz, Y. (2021). 'Synthesis and in silico studies of novel pyrazole-based anti-MERS-CoV agents', EKB Journal Management System, 5(Chemistry), pp. 121-134. doi: 10.21608/rpbs.2021.73630.1100
Elewa, M., Mohamed, M., Nafie, M., Said, M., Elgendy, A., abdel Aziz, Y. Synthesis and in silico studies of novel pyrazole-based anti-MERS-CoV agents. EKB Journal Management System, 2021; 5(Chemistry): 121-134. doi: 10.21608/rpbs.2021.73630.1100

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, Page 121-134  XML PDF (1.47 MB)
Document Type: Original Article
DOI: 10.21608/rpbs.2021.73630.1100
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Authors
Marwa Elewa email orcid 1; Mahitab Mohamed2; Mohamed Nafieorcid 3; Mohamed M. Said4; adel A. Elgendy2; yasmine abdel Azizorcid 5
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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