INTERACTIONS OF APIGENIN AND SAFRANAL WITH THE 5HT1A AND 5HT2A RECEPTORS AND BEHAVIORAL EFFECTS IN DEPRESSION AND ANXIETY: A MOLECULAR DOCKING, LIPID-MEDIATED MOLECULAR DYNAMICS, AND IN VIVO ANALYSIS

Simple item page
dc.contributor.authorAmin, Faiq
dc.contributor.authorIbrahim, Mahmoud A. A.
dc.contributor.authorRizwan-ul-Hasan, Syed
dc.contributor.authorKhaliq, Saima
dc.contributor.authorGabr, Gamal A.
dc.contributor.authorKhan, Asra
dc.contributor.authorSidhom, Peter A.
dc.contributor.authorTikmani, Prashant
dc.contributor.authorShawky, Ahmed M.
dc.contributor.authorAhmad, Saara
dc.contributor.authorAbidi, Syed Hani
dc.date.accessioned2023-06-27T07:59:29Z
dc.date.available2023-06-27T07:59:29Z
dc.date.issued2022
dc.description.abstractThe current study utilizes in silico molecular docking/molecular dynamics to evaluate the binding affinity of apigenin and safranal with 5HT1AR/5HT2AR, followed by assessment of in vivo effects of these compounds on depressive and anxious behavior. Methods: The docking between apigenin and safranal and the 5HT1A and 5HT2A receptors was performed utilizing AutoDock Vina software, while MD and protein-lipid molecular dynamics simulations were executed by AMBER16 software. For in vivo analysis, healthy control (HC), disease control (DC), fluoxetine-, and apigenin-safranal-treated rats were tested for changes in depression and anxiety using the forced swim test (FST) and the elevated plus-maze test (EPMT), respectively. Results: The binding affinity estimations identified the superior interacting capacity of apigenin over safranal for 5HT1A/5HT2A receptors over 200 ns MD simulations. Both compounds exhibit oral bioavailability and absorbance. In the rodent model, there was a significant increase in the overall mobility time in the FST, while in the EPMT, there was a decrease in latency and an increase in the number of entries for the treated and HC rats compared with the DC rats, suggesting a reduction in depressive/anxiety symptoms after treatment. Conclusions: Our analyses suggest apigenin and safranal as prospective medication options to treat depression and anxiety.en_US
dc.identifier.citationAmin, F., Ibrahim, M. a. A., Rizwan-Ul-Hasan, S., Khaliq, S., Gabr, G. A., Muhammad, N., Khan, A., Sidhom, P. A., Tikmani, P., Shawky, A., Ahmad, S., & Abidi, S. H. (2022). Interactions of Apigenin and Safranal with the 5HT1A and 5HT2A Receptors and Behavioral Effects in Depression and Anxiety: A Molecular Docking, Lipid-Mediated Molecular Dynamics, and In Vivo Analysis. Molecules, 27(24), 8658. https://doi.org/10.3390/molecules27248658en_US
dc.identifier.urihttp://nur.nu.edu.kz/handle/123456789/7263
dc.language.isoenen_US
dc.publisherMoleculesen_US
dc.rightsAttribution-NonCommercial-ShareAlike 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/3.0/us/*
dc.subjectType of access: Open Accessen_US
dc.subjectdepressionen_US
dc.subjectanxietyen_US
dc.subjectnatural compoundsen_US
dc.subjectmolecular docking and dynamicsen_US
dc.subjectserotonin receptorsen_US
dc.subjectmurine modelen_US
dc.titleINTERACTIONS OF APIGENIN AND SAFRANAL WITH THE 5HT1A AND 5HT2A RECEPTORS AND BEHAVIORAL EFFECTS IN DEPRESSION AND ANXIETY: A MOLECULAR DOCKING, LIPID-MEDIATED MOLECULAR DYNAMICS, AND IN VIVO ANALYSISen_US
dc.typeArticleen_US
workflow.import.sourcescience

Files

Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
molecules-27-08658-v2.pdf
Size:
8.93 MB
Format:
Adobe Portable Document Format
Description:
article
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
6.28 KB
Format:
Item-specific license agreed upon to submission
Description:
Download

Collections

Articles