Flavonoids and Phenolic Acids from Aerial Part of Ajuga integrifolia (Buch.-Ham. Ex D. Don): Anti-Shigellosis Activity and In Silico Molecular Docking Studies-Reference-Cited by-同舟云学术

Flavonoids and Phenolic Acids from Aerial Part of Ajuga integrifolia (Buch.-Ham. Ex D. Don): Anti-Shigellosis Activity and In Silico Molecular Docking Studies

Published:2023-01-22 Issue:3 Volume:28 Page:1111
ISSN:1420-3049
Container-title:Molecules
language:en
Short-container-title:Molecules

Author:

Tessema Fekade Beshah¹²^ORCID,Gonfa Yilma Hunde¹³,Asfaw Tilahun Belayneh¹⁴^ORCID,Tadesse Tigist Getachew⁵,Tadesse Mesfin Getachew¹^ORCID,Bachheti Archana⁶,Pandey Devi Prasad⁷,Wabaidur Saikh M.⁸^ORCID,Dahlous Kholood A.⁸,Širić Ivan⁹^ORCID,Kumar Pankaj¹⁰^ORCID,Kumar Vinod¹⁰^ORCID,Abou Fayssal Sami¹¹¹²^ORCID,Bachheti Rakesh Kumar¹¹³^ORCID

Affiliation:

1. Department of Industrial Chemistry, Addis Ababa Science and Technology University, Addis Ababa 16417, Ethiopia

2. Department of Chemistry, Faculty of Natural and Computational Science, Woldia University, Woldia 400, Ethiopia

3. Department of Chemistry, Faculty of Natural and Computational Science, Ambo University, Ambo 19, Ethiopia

4. Department of Chemistry, College of Natural and Computational Science, Gondar University, Gondar 196, Ethiopia

5. Bio and Emerging Technology Institute, Health Biotechnology Directorate, Addis Ababa 5954, Ethiopia

6. Department of Environment Science, Graphic Era (Deemed to be University), Dehradun 248002, India

7. Department of Chemistry, Govt Degree College Dehradun Shahar, Suddhowala, Dehradun 248007, India

8. Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia

9. University of Zagreb, Faculty of Agriculture, Svetosimunska 25, Zagreb 10000, Croatia

10. Agro-Ecology and Pollution Research Laboratory, Department of Zoology and Environmental Science, Gurukula Kangri (Deemed to be University), Haridwar 249404, India

11. Department of Agronomy, Faculty of Agronomy, University of Forestry, 10 Kliment Ohridski Blvd, 1797 Sofia, Bulgaria

12. Department of Plant Production, Faculty of Agriculture, Lebanese University, Beirut 1302, Lebanon

13. Centre of Excellence in Biotechnology and Bioprocess, Addis Ababa Science and Technology University, Addis Ababa 16417, Ethiopia

Abstract

Shigellosis is one of the major causes of death in children worldwide. Flavonoids and phenolic acids are expected to demonstrate anti-shigellosis activity and anti-diarrheal properties. The aerial part of A. integrifolia is commonly used against diarrhea. This study aimed to identify flavonoids and phenolic acids responsible for this therapeutic purpose. Antioxidant activity, total phenol content, and total flavonoid content were determined. The antibacterial activity of the aerial part against Shigella spp. was also tested using the agar well diffusion method. HPLC analysis was performed using UHPLC-DAD for different extracts of the aerial part. Autodock Vina in the PyRx platform was used to screen responsible components. Ciprofloxacin was used as a reference drug. An enzyme taking part in pyrimidine biosynthesis was used as a target protein. Molecular docking results were visualized using Discovery Studio and LigPlot1.4.5 software. Antioxidant activity, total phenol content, and total flavonoid content are more significant for the aerial part of A. integrifolia. From HPLC analysis, the presence of the flavonoids, quercetin, myricetin, and rutin and the phenolic acids gallic acid, chlorogenic acid, and syringic acid were identified from the aerial part of A. integrifolia. Regarding the antibacterial activity, the aerial part shows considerable activity against Shigella spp. Binding energies, RMSD and Ki values, interaction type, and distance are considered to identify the components most likely responsible for the therapeutic effects and observed activity. Antioxidant activity, total phenol content, and total flavonoid content of the aerial part are in line with anti-shigellosis activity. The top five components that are most likely potentially responsible for therapeutic purposes and anti-shigellosis activity are chlorogenic acid, rutin, dihydroquercetin, dihydromyricetin, and kaempferol.

Funder

King Saud University

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

Link

https://www.mdpi.com/1420-3049/28/3/1111/pdf

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