Full text

Turn on search term navigation

© 2023 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.

Abstract

The present work aims to evaluate Rosa x damascena Herrm. and Pelargonium graveolens L’Hér. essential oils, and the major constituent geraniol for their in vitro and in silico inhibitory activities against 5-lipoxygenase (5-LOX), cyclooxygenase (COX), acetyl cholinesterase (AChE), butyryl cholinesterase (BuChE), and angiotensin converting enzyme (ACE2) enzymes. Geraniol most potently inhibited the ACE2 relative to other enzymes. R. damascena essential oil moderately inhibited the cancer cell lines with no toxic effects on healthy HEK 293 cells. P. graveolens essential oil inhibited a number of cancer cell lines including A549, MCF7, PC3, and HEK 293 that are reported here for the first time. The molecular docking of geraniol with the target enzymes revealed that it binds to the active sites similar to that of known drugs. Geraniol carries the potential for further drug development due to its drug-like binding mode for the target enzymes. Our work confirms that these essential oils possess similar biological activities due to their similar phytochemistry in terms of the major constituents of the plants. The promising biological activities reported in this work further warrant the inclusion of in vivo studies to establish safe use of the target essential oils and their constituents.

Details

Title
Comparative In Vitro and In Silico Enzyme Inhibitory Screening of Rosa x damascena and Pelargonium graveolens Essential Oils and Geraniol
Author
Karadağ, Ayşe Esra 1   VIAFID ORCID Logo  ; Biltekin, Sevde Nur 2   VIAFID ORCID Logo  ; Demirci, Betül 3   VIAFID ORCID Logo  ; Demirci, Fatih 4   VIAFID ORCID Logo  ; Ghani, Usman 5   VIAFID ORCID Logo 

 Department of Pharmacognosy, School of Pharmacy, Istanbul Medipol University, 34815 Istanbul, Türkiye 
 Department of Pharmaceutical Microbiology, School of Pharmacy, Istanbul Medipol University, 34815 Istanbul, Türkiye; [email protected] 
 Department of Pharmacognosy, Faculty of Pharmacy, Anadolu University, 26470 Eskişehir, Türkiye; [email protected] (B.D.); [email protected] (F.D.) 
 Department of Pharmacognosy, Faculty of Pharmacy, Anadolu University, 26470 Eskişehir, Türkiye; [email protected] (B.D.); [email protected] (F.D.); Faculty of Pharmacy, Eastern Mediterranean University, North Cyprus, 99450 Famagusta, Türkiye 
 Clinical Biochemistry Unit, Department of Pathology, College of Medicine, King Saud University, Riyadh 12372, Saudi Arabia 
First page
3296
Publication year
2023
Publication date
2023
Publisher
MDPI AG
e-ISSN
22237747
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2869539256
Copyright
© 2023 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.