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275937

Bioactive constituents of Marine Soft Coral Nephthea sp. against Herpes simplex type I (HSV-1) and Coxsackie B4 (CoxB4) viruses; In-Vitro and In Silico studies

Article

Last updated: 01 Jan 2025

OverviewSimilar Items

Subjects

-

Tags

Organic chemistry

Abstract

The most catastrophic problem that affects living standards is viral infections. This work aims to discover and evaluate new antiviral agents from marine sources. Antiviral activities of n-hexane, dichloromethane, ethyl acetate, and butanol fractions of octocoral Nephthea sp. were examined in vitro against Herpes simplex type I (HSV-1) and Coxsackie B4 (CoxB4) viruses using MTT assay. n-hexane fraction was the most bioactive fraction with IC50 30.23 ± 0.007g/ml on both viruses. The metabolic profiling of the n-hexane fraction was investigated as the most potent fraction via the Ultra Performance Liquid Chromatography method joined to a quadrupole time-of-flight hybrid mass spectrometer (UPLC-Q/TOF-MS), which led to the identification of twelve secondary metabolites (diterpenoid, triterpene, steroids, and fatty acids). A molecular docking investigation was supported by using Molecular Operating Environment (MOE) software to prove the mechanism of action. The highest binding energy score was for lauric acid with -10.2157 kcal/mol toward the Thymidine Kinase (TK), and Chabrolohydroxybenzoquinone G toward 3C protease (3Cpro) enzyme with -16.5115 kcal/mol. Finally, the results were confirmed by the inhibitory effect of bioactive fraction in-vitro against TK and 3Cpro enzymes. Our results highlighted Nephthea sp. as a rich source of non-polar effective constituents that might be a promising candidate for controlling viral infections.

DOI

10.21608/ejchem.2022.180047.7313

Keywords

Antiviral, Docking study, Nephthea sp, UPLC-Q/TOF-MS, Thymidine Kinase, 3C protease

Authors

First Name

Nevine

Last Name

Hassan

MiddleName

H.

Affiliation

Pharmacognosy Department, Faculty of Pharmacy, Modern University for Technology and Information, Cairo, Egypt;

Email

dr_nh21@yahoo.com

City

-

Orcid

-

First Name

seham

Last Name

elhawary

MiddleName

-

Affiliation

department of pharmacognosy, faculty of pharmacy, Cairo university

Email

seham.elhawary@pharma.cu.edu.eg

City

-

Orcid

0000-0002-6823-1142

First Name

Mahmoud

Last Name

Emam

MiddleName

-

Affiliation

Natural products chemistry

Email

mahmoudemamhegazy2020@gmail.com

City

-

Orcid

-

First Name

mohamed

Last Name

rabeh

MiddleName

abdelatty

Affiliation

pharmacognosy, faculty of pharmacy, cairo university, Egypt

Email

mohamedabdelatty68@yahoo.com

City

cairo

Orcid

-

First Name

Abdullatif

Last Name

Muhsinah

MiddleName

Bin

Affiliation

Pharmacognosy Department, College of Pharmacy, King Khalid University, Abha 61441, Saudi Arabia

Email

ajmohsnah@kku.edu.sa

City

-

Orcid

-

First Name

Yahya

Last Name

Asiri

MiddleName

I.

Affiliation

Pharmacology and Toxicology Department, College of Pharmacy, King Khalid University, Abha 61441, Saudi Arabia

Email

yialmuawad@kku.edu.sa

City

-

Orcid

-

First Name

Elsayed

Last Name

Hamed

MiddleName

A.E.

Affiliation

National Institute of Oceanography and Fisheries, Hurghada-Red Sea (NIOF) 84511, Egypt

Email

elsayed_pin@yahoo.com

City

-

Orcid

-

First Name

Usama

Last Name

AbdelMohsen

MiddleName

Ramadan

Affiliation

Minia University College of Pharmacy, Pharmacognosy Departement

Email

usama.ramadan@mu.edu.eg

City

-

Orcid

-

First Name

Nabil

Last Name

Selim

MiddleName

Mohamed

Affiliation

Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Cairo, Egypt

Email

dr_nabilselim79@yahoo.com

City

Cairo

Orcid

0000-0001-6252-000x

Volume

66

Article Issue

9

Related Issue

43167

Issue Date

2023-09-01

Receive Date

2022-12-11

Publish Date

2023-09-01

Page Start

409

Page End

420

Print ISSN

0449-2285

Online ISSN

2357-0245

Article File

EJCHEM_Volume 66_Issue 9_Pages 409-420.pdf

PDF . 2.1MB

Link

https://ejchem.journals.ekb.eg/article_275937.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=275937

Order

275,937

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

https://ejchem.journals.ekb.eg/

MainTitle

Bioactive constituents of Marine Soft Coral Nephthea sp. against Herpes simplex type I (HSV-1) and Coxsackie B4 (CoxB4) viruses; In-Vitro and In Silico studies

Details

Type

Article

Created At

30 Dec 2024