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© 2022 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

Glutinol, a triterpenoid compound, has no documented systematic investigation into its mechanism. Hence, we used network pharmacology to investigate glutinol’s mechanism. The chemical formula of glutinol was searched in the PubChem database for our investigation. The BindingDB Database was utilized to discover probable glutinol target genes after ADMET analysis with the pkCSM software. DAVID tools were also used to perform Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis of target genes. We also uploaded the targets to the STRING database to obtain the protein interaction network at the same time. Then, we performed some molecular docking using glutinol and targets. Finally, we used Cytoscape to visualize and evaluate a protein–protein interaction network and a drug-target-pathway network. Glutinol has good biological activity and drug utilization, according to our findings. A total of 32 target genes were discovered. Bioinformatics and network analysis were used, allowing the discovery that these target genes are linked to carcinogenesis, diabetes, inflammatory response, and other biological processes. These findings showed that glutinol can operate on a wide range of proteins and pathways to establish a pharmacological network that can be useful in drug development and use.

Details

Title
Network Pharmacology and Molecular Docking Based Prediction of Mechanism of Pharmacological Attributes of Glutinol
Author
Alzarea, Sami I 1   VIAFID ORCID Logo  ; Qasim, Sumera 1 ; Ambreen Malik Uttra 2 ; Yusra Habib Khan 3 ; Aljoufi, Fakhria A 1   VIAFID ORCID Logo  ; Shaimaa Rashad Ahmed 4   VIAFID ORCID Logo  ; Alanazi, Madhawi 5 ; Tauqeer Hussain Malhi 3   VIAFID ORCID Logo 

 Department of Pharmacology, College of Pharmacy, Jouf University, Sakaka 72341, Saudi Arabia; [email protected] (S.I.A.); [email protected] (F.A.A.) 
 College of Pharmacy, University of Sargodha, Sargodha 40100, Pakistan; [email protected] 
 Department of Clinical Pharmacy, College of Pharmacy, Jouf University, Sakaka 72341, Saudi Arabia; [email protected] (Y.H.K.); [email protected] (T.H.M.) 
 Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Kasr El-Aini Street, Cairo 11562, Egypt; [email protected]; Department of Pharmacognosy, College of Pharmacy, Jouf University, Sakaka 72341, Saudi Arabia 
 Tumair General Hospital, Riyadh Second Health Cluster, Ministry of Health, Riyadh 12211, Saudi Arabia; [email protected] 
First page
1492
Publication year
2022
Publication date
2022
Publisher
MDPI AG
e-ISSN
22279717
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2706282856
Copyright
© 2022 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.