Integrated Network Pharmacology and In-Silico Molecular Docking Studies to Unveil Mechanism of Action of Polyphenolic Compounds of Psidium Guajava for The Management of Thrombocytopenia
Despite considerable studies, thrombocytopenia is still affecting millions of people with an increasing rate of morbidity and mortality around the globe. Therefore, we aimed to identify pharmacologically active polyphenolic compounds such as quercetin, apigenin and kaempferol in Psidium guajava for...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Tishk International University
2022-12-01
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| Series: | Eurasian Journal of Science and Engineering |
| Subjects: | |
| Online Access: | https://eajse.tiu.edu.iq/index.php/volume-8-issue-3-article-22/ |
| _version_ | 1797704583793868800 |
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| author | Adil Ahamad Kamran Javed Naquvi Mohd. Javed Naeem Javed Ahamad S. H. Ansari Sayeed Ahmad |
| author_facet | Adil Ahamad Kamran Javed Naquvi Mohd. Javed Naeem Javed Ahamad S. H. Ansari Sayeed Ahmad |
| author_sort | Adil Ahamad |
| collection | DOAJ |
| description | Despite considerable studies, thrombocytopenia is still affecting millions of people with an increasing rate of morbidity and mortality around the globe. Therefore, we aimed to identify pharmacologically active polyphenolic compounds such as quercetin, apigenin and kaempferol in Psidium guajava for the management of thrombocytopenia using network pharmacology and in-silico molecular docking. The results of ADME/Tox screening revealed that all the polyphenolic compounds possess the drug-likeness activity and were found safe. Moreover, network pharmacology revealed that polyphenolic compounds of Psidium guajava may combat diabetes by acting on key targets, such as MAPK, TP53 and TNF-α which were strongly involved in oxidative stress, inflammatory responses and blood-related parameters involved in thrombocytopenia. Further, a mechanistic approach through molecular docking also supports the strong binding sites of quercetin, apigenin and kaempferol. Conclusively, in-silico ADME, molecular docking and network pharmacology study revealed that identified compounds are safe and pharmacologically effective. These identified compounds could be a great source for the development of new anti-thrombocytopenic drugs in the future. |
| first_indexed | 2024-03-12T05:22:30Z |
| format | Article |
| id | doaj.art-3834445855804a4f95f988eba886e705 |
| institution | Directory Open Access Journal |
| issn | 2414-5629 2414-5602 |
| language | English |
| last_indexed | 2024-03-12T05:22:30Z |
| publishDate | 2022-12-01 |
| publisher | Tishk International University |
| record_format | Article |
| series | Eurasian Journal of Science and Engineering |
| spelling | doaj.art-3834445855804a4f95f988eba886e7052023-09-03T07:31:28ZengTishk International UniversityEurasian Journal of Science and Engineering2414-56292414-56022022-12-018328329710.23918/eajse.v8i3p283Integrated Network Pharmacology and In-Silico Molecular Docking Studies to Unveil Mechanism of Action of Polyphenolic Compounds of Psidium Guajava for The Management of ThrombocytopeniaAdil Ahamad0Kamran Javed Naquvi1Mohd. Javed Naeem2Javed Ahamad3S. H. Ansari4Sayeed Ahmad5Department of Pharmacognosy and Phytochemistry, School of Pharmaceutical Education and Research, Jamia Hamdard, New Delhi, IndiaInstitute of Biomedical Education and Research, Department of Pharmacy, Mangalayatan University, Beswan, Aligarh, UP, IndiaDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Tishk International University, Erbil, Kurdistan region, IraqDepartment of Pharmacognosy, Faculty of Pharmacy, Tishk International University, Erbil, Kurdistan region, IraqDepartment of Pharmacognosy and Phytochemistry, School of Pharmaceutical Education and Research, Jamia Hamdard, New Delhi, IndiaDepartment of Pharmacognosy and Phytochemistry, School of Pharmaceutical Education and Research, Jamia Hamdard, New Delhi, IndiaDespite considerable studies, thrombocytopenia is still affecting millions of people with an increasing rate of morbidity and mortality around the globe. Therefore, we aimed to identify pharmacologically active polyphenolic compounds such as quercetin, apigenin and kaempferol in Psidium guajava for the management of thrombocytopenia using network pharmacology and in-silico molecular docking. The results of ADME/Tox screening revealed that all the polyphenolic compounds possess the drug-likeness activity and were found safe. Moreover, network pharmacology revealed that polyphenolic compounds of Psidium guajava may combat diabetes by acting on key targets, such as MAPK, TP53 and TNF-α which were strongly involved in oxidative stress, inflammatory responses and blood-related parameters involved in thrombocytopenia. Further, a mechanistic approach through molecular docking also supports the strong binding sites of quercetin, apigenin and kaempferol. Conclusively, in-silico ADME, molecular docking and network pharmacology study revealed that identified compounds are safe and pharmacologically effective. These identified compounds could be a great source for the development of new anti-thrombocytopenic drugs in the future.https://eajse.tiu.edu.iq/index.php/volume-8-issue-3-article-22/psidium guajavapolyphenolnetwork pharmacologydockinganti-thrombocytopenic |
| spellingShingle | Adil Ahamad Kamran Javed Naquvi Mohd. Javed Naeem Javed Ahamad S. H. Ansari Sayeed Ahmad Integrated Network Pharmacology and In-Silico Molecular Docking Studies to Unveil Mechanism of Action of Polyphenolic Compounds of Psidium Guajava for The Management of Thrombocytopenia Eurasian Journal of Science and Engineering psidium guajava polyphenol network pharmacology docking anti-thrombocytopenic |
| title | Integrated Network Pharmacology and In-Silico Molecular Docking Studies to Unveil Mechanism of Action of Polyphenolic Compounds of Psidium Guajava for The Management of Thrombocytopenia |
| title_full | Integrated Network Pharmacology and In-Silico Molecular Docking Studies to Unveil Mechanism of Action of Polyphenolic Compounds of Psidium Guajava for The Management of Thrombocytopenia |
| title_fullStr | Integrated Network Pharmacology and In-Silico Molecular Docking Studies to Unveil Mechanism of Action of Polyphenolic Compounds of Psidium Guajava for The Management of Thrombocytopenia |
| title_full_unstemmed | Integrated Network Pharmacology and In-Silico Molecular Docking Studies to Unveil Mechanism of Action of Polyphenolic Compounds of Psidium Guajava for The Management of Thrombocytopenia |
| title_short | Integrated Network Pharmacology and In-Silico Molecular Docking Studies to Unveil Mechanism of Action of Polyphenolic Compounds of Psidium Guajava for The Management of Thrombocytopenia |
| title_sort | integrated network pharmacology and in silico molecular docking studies to unveil mechanism of action of polyphenolic compounds of psidium guajava for the management of thrombocytopenia |
| topic | psidium guajava polyphenol network pharmacology docking anti-thrombocytopenic |
| url | https://eajse.tiu.edu.iq/index.php/volume-8-issue-3-article-22/ |
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