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167459

Synthesis and in silico studies of novel pyrazole-based anti-MERS-CoV agents

Article

Last updated: 22 Jan 2023

Subjects

-

Tags

Drug discovery and development
Pharmaceutical chemistry.

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

DOI

10.21608/rpbs.2021.73630.1100

Keywords

anti-MERS-CoV, Favipiravir, pyrazole-based analogues, benzylidene carbohydrazide moiety, COVID-19 main protease (PDB: 6LU7)

Authors

First Name

Marwa

Last Name

Elewa

MiddleName

-

Affiliation

Organic chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia, 41522, Egypt.

Email

marwa_elewa@pharm.suez.edu.eg

City

Ismailia

Orcid

0000-0003-0091-1843

First Name

Mahitab

Last Name

Mohamed

MiddleName

-

Affiliation

Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Misr international University, Obour, Egypt.

Email

mahitab093487@miuegypt.edu.eg

City

-

Orcid

-

First Name

Mohamed

Last Name

Nafie

MiddleName

-

Affiliation

Chemistry Department, Faculty of Science, Suez Canal University, Ismailia, Egypt.

Email

mohamed_nafie@science.suez.edu.eg

City

-

Orcid

0000-0003-4454-6390

First Name

Mohamed

Last Name

Said

MiddleName

M.

Affiliation

Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt

Email

msaid123eg@yahoo.com

City

ismailia

Orcid

-

First Name

adel

Last Name

Elgendy

MiddleName

A.

Affiliation

Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Misr international University, Obour, Egypt.

Email

elgendy@yahoo.com

City

-

Orcid

-

First Name

yasmine

Last Name

abdel Aziz

MiddleName

-

Affiliation

pharmaceutical organic chemistry faculty of pharmacy Suez canal university

Email

yassmin_morsy@pharm.suez.edu.eg

City

-

Orcid

0000-0003-2861-4605

Volume

5

Article Issue

Chemistry

Related Issue

16063

Issue Date

2021-01-01

Receive Date

2021-04-20

Publish Date

2021-04-28

Page Start

121

Page End

134

Print ISSN

2536-9857

Online ISSN

2535-2091

Link

https://rpbs.journals.ekb.eg/article_167459.html

Detail API

https://rpbs.journals.ekb.eg/service?article_code=167459

Order

17

Type

Original Article

Type Code

532

Publication Type

Journal

Publication Title

Records of Pharmaceutical and Biomedical Sciences

Publication Link

https://rpbs.journals.ekb.eg/

MainTitle

-

Details

Type

Article

Created At

22 Jan 2023