Multi-target mechanism of Solanum xanthocarpum for treatment of psoriasis based on network pharmacology and molecular docking
Solanum xanthocarpum (SX) has been used to treat a variety of diseases, including skin disorders like psoriasis (PSO). SX possesses many pharmacological activities of anti-inflammatory, anti-cancer, immunosuppressive, and healing qualities. However, the multi-target mechanism of SX on PSO still need...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-11-01
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| Series: | Saudi Pharmaceutical Journal |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1319016423002839 |
| _version_ | 1797632705829011456 |
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| author | Nilanchala Sahu Swati Madan Ramanpreet Walia Rama Tyagi Omer I. Fantoukh Mohammed F. Hawwal Ali Akhtar Ibrahim Almarabi Perwez Alam Shikha Saxena |
| author_facet | Nilanchala Sahu Swati Madan Ramanpreet Walia Rama Tyagi Omer I. Fantoukh Mohammed F. Hawwal Ali Akhtar Ibrahim Almarabi Perwez Alam Shikha Saxena |
| author_sort | Nilanchala Sahu |
| collection | DOAJ |
| description | Solanum xanthocarpum (SX) has been used to treat a variety of diseases, including skin disorders like psoriasis (PSO). SX possesses many pharmacological activities of anti-inflammatory, anti-cancer, immunosuppressive, and healing qualities. However, the multi-target mechanism of SX on PSO still needs clarity. Materials and methods: The Indian Medicinal Plants, Phytochemicals and Therapeutics (IMPPAT) database and the Swiss Target Prediction online tool were used to find the active phytochemical components and their associated target proteins. OMIM and GeneCards databases were used to extract PSO-related targets. A Venn diagram analysis determined the common targets of SX against PSO. Subsequently, the protein–protein interaction (PPI) network and core PPI target analysis were carried out using the STRING network and Cytoscape software. Also, utilising the online Metascape and bioinformatics platform tool, a pathway enrichment analysis of common targets using the Kyoto Encyclopaedia of Genes and Genome (KEGG) and Gene Ontology (GO) databases was conducted to verify the role of targets in biological processes, cellular components and molecular functions with respect to KEGG pathways. Lastly, molecular docking simulations were performed to validate the strong affinity between components of SX and key target receptors. Results: According to the IMPPAT Database information, 8 active SX against PSO components were active. According to the PPI network and core targets study, the main targets against PSO were EGFR, SRC, STAT3, ERBB2, PTK2, SYK, EP300, CBL, TP53, and AR. Moreover, molecular docking simulations verified the binding interaction of phytochemical SX components with their PSO targets. Last but not least, enrichment analysis showed that SX is involved in several biological processes, including peptidyl-tyrosine phosphorylation, peptidyl-tyrosine modification, and peptidyl-serine modification. The relevant KEGG signalling pathways are the PI3K-AKT signalling pathway, the EGFR tyrosine kinase inhibitor resistance pathway, and the MAPK signalling pathway. Conclusion: The network pharmacology technique, which is based on data interpretation and molecular docking simulation techniques, has proven the multi-target function of SX phytoconstituents. |
| first_indexed | 2024-03-11T11:41:34Z |
| format | Article |
| id | doaj.art-82f69a0570014e5b9d2bc1b43e561b39 |
| institution | Directory Open Access Journal |
| issn | 1319-0164 |
| language | English |
| last_indexed | 2024-03-11T11:41:34Z |
| publishDate | 2023-11-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Saudi Pharmaceutical Journal |
| spelling | doaj.art-82f69a0570014e5b9d2bc1b43e561b392023-11-10T04:16:01ZengElsevierSaudi Pharmaceutical Journal1319-01642023-11-013111101788Multi-target mechanism of Solanum xanthocarpum for treatment of psoriasis based on network pharmacology and molecular dockingNilanchala Sahu0Swati Madan1Ramanpreet Walia2Rama Tyagi3Omer I. Fantoukh4Mohammed F. Hawwal5Ali Akhtar6Ibrahim Almarabi7Perwez Alam8Shikha Saxena9Amity Institute of Pharmacy, Amity University, Noida, Uttar Pradesh 201303, IndiaAmity Institute of Pharmacy, Amity University, Noida, Uttar Pradesh 201303, IndiaAmity Institute of Pharmacy, Amity University, Noida, Uttar Pradesh 201303, IndiaAmity Institute of Pharmacy, Amity University, Noida, Uttar Pradesh 201303, IndiaDepartment of Pharmacognosy, College of Pharmacy, P.O. Box 2457, King Saud University, Riyadh 11451, Saudi ArabiaDepartment of Pharmacognosy, College of Pharmacy, P.O. Box 2457, King Saud University, Riyadh 11451, Saudi ArabiaDepartment of Pharmacognosy, College of Pharmacy, P.O. Box 2457, King Saud University, Riyadh 11451, Saudi ArabiaDivision of Pharmacognosy, Department of BioMolecular Sciences, School of Pharmacy, The University of Mississippi, Oxford, MS 38677, USADepartment of Pharmacognosy, College of Pharmacy, P.O. Box 2457, King Saud University, Riyadh 11451, Saudi Arabia; Corresponding authors.Amity Institute of Pharmacy, Amity University, Noida, Uttar Pradesh 201303, India; Corresponding authors.Solanum xanthocarpum (SX) has been used to treat a variety of diseases, including skin disorders like psoriasis (PSO). SX possesses many pharmacological activities of anti-inflammatory, anti-cancer, immunosuppressive, and healing qualities. However, the multi-target mechanism of SX on PSO still needs clarity. Materials and methods: The Indian Medicinal Plants, Phytochemicals and Therapeutics (IMPPAT) database and the Swiss Target Prediction online tool were used to find the active phytochemical components and their associated target proteins. OMIM and GeneCards databases were used to extract PSO-related targets. A Venn diagram analysis determined the common targets of SX against PSO. Subsequently, the protein–protein interaction (PPI) network and core PPI target analysis were carried out using the STRING network and Cytoscape software. Also, utilising the online Metascape and bioinformatics platform tool, a pathway enrichment analysis of common targets using the Kyoto Encyclopaedia of Genes and Genome (KEGG) and Gene Ontology (GO) databases was conducted to verify the role of targets in biological processes, cellular components and molecular functions with respect to KEGG pathways. Lastly, molecular docking simulations were performed to validate the strong affinity between components of SX and key target receptors. Results: According to the IMPPAT Database information, 8 active SX against PSO components were active. According to the PPI network and core targets study, the main targets against PSO were EGFR, SRC, STAT3, ERBB2, PTK2, SYK, EP300, CBL, TP53, and AR. Moreover, molecular docking simulations verified the binding interaction of phytochemical SX components with their PSO targets. Last but not least, enrichment analysis showed that SX is involved in several biological processes, including peptidyl-tyrosine phosphorylation, peptidyl-tyrosine modification, and peptidyl-serine modification. The relevant KEGG signalling pathways are the PI3K-AKT signalling pathway, the EGFR tyrosine kinase inhibitor resistance pathway, and the MAPK signalling pathway. Conclusion: The network pharmacology technique, which is based on data interpretation and molecular docking simulation techniques, has proven the multi-target function of SX phytoconstituents.http://www.sciencedirect.com/science/article/pii/S1319016423002839Solanum xanthocarpumPsoriasisNetwork pharmacologyMolecular dockingIMPPAT database |
| spellingShingle | Nilanchala Sahu Swati Madan Ramanpreet Walia Rama Tyagi Omer I. Fantoukh Mohammed F. Hawwal Ali Akhtar Ibrahim Almarabi Perwez Alam Shikha Saxena Multi-target mechanism of Solanum xanthocarpum for treatment of psoriasis based on network pharmacology and molecular docking Saudi Pharmaceutical Journal Solanum xanthocarpum Psoriasis Network pharmacology Molecular docking IMPPAT database |
| title | Multi-target mechanism of Solanum xanthocarpum for treatment of psoriasis based on network pharmacology and molecular docking |
| title_full | Multi-target mechanism of Solanum xanthocarpum for treatment of psoriasis based on network pharmacology and molecular docking |
| title_fullStr | Multi-target mechanism of Solanum xanthocarpum for treatment of psoriasis based on network pharmacology and molecular docking |
| title_full_unstemmed | Multi-target mechanism of Solanum xanthocarpum for treatment of psoriasis based on network pharmacology and molecular docking |
| title_short | Multi-target mechanism of Solanum xanthocarpum for treatment of psoriasis based on network pharmacology and molecular docking |
| title_sort | multi target mechanism of solanum xanthocarpum for treatment of psoriasis based on network pharmacology and molecular docking |
| topic | Solanum xanthocarpum Psoriasis Network pharmacology Molecular docking IMPPAT database |
| url | http://www.sciencedirect.com/science/article/pii/S1319016423002839 |
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