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Molecular interaction of naringin and its metabolite naringenin to human liver fibrosis proteins: An In Silico approach
| Content Provider | Scilit |
|---|---|
| Author | Anuja, Gi Shine, Vj Pradeep, S. Suja, Sr |
| Copyright Year | 2018 |
| Abstract | Background: Naringin, pharmaceutically active flavonoid, rapidly metabolizes in liver into naringenin. Both naringin and naringenin have significant biological activity and less toxicity. Objective: In the present study, in silico molecular interactions of naringin and its metabolite naringenin have been evaluated against different human liver fibrosis proteins. Materials and Methods: The major human therapeutic protein targets such as epidermal growth factor receptor (EGFR), vascular endothelial growth factor receptor-2 (VEGFR-2), fibroblast growth factor receptor-1 (FGFR1), Kelch-like ECH-associated protein-1 (Kaep1), transforming growth factor beta receptor I (TGFBR-1), angiotensin II receptor type-1 (Angio-II-Type-1), Janus kinase-2 (JAK-2), Zeta-chain-associated protein kinase-70 (ZAP-70) have been selected for the docking studies. This computational study was performed using Schrödinger Suite Maestro 10.3 Glide software 2015. Results: The studies demonstrated comparable binding affinities of naringin and naringenin with human therapeutic protein targets such as JAK-2, ZAP-70 Kinase, Angio-II-Type 1, TGFBR1, Kaep1, EGFR, VEGFR-2, and FGFR1 when compared to their respective standard drugs such as gefitinib, regorafenib, dovitinib, bardoxolone methyl, SB-431542, olmesartan, and ruxolitinib. Naringin showed better glide score ranging from −8.5 to −13.3 kcal/mol whereas its metabolite Naringenin also showed comparable glide score ranging from −5.4 to −9.3 kcal/mol. The binding of target proteins with respective standard drugs showed −2.2 to −10.12 kcal/mol. Conclusion: The observed in silico human protein interactions of naringin and its metabolite naringenin could be exploited for the anti-liver fibrosis therapy. The results derived from this pioneering virtual study may advance further mechanistic in vitro and preclinical in vivo studies. Abbreviations used: Jak-2: Janus kinase-2, ZAP-70: Zeta-chain-associated protein kinase-70, Angio-II-type-1: Angiotensin II receptor type-1, TGFBR1: Transforming growth factor beta receptor I, Kaep1: Kelch-like ECH-associated protein-1, EGFR: Epidermal growth factor receptor, VEGFR-2: Vascular endothelial growth factor receptor-2, FGFR1 kinase: Fibroblast growth factor receptor-1. |
| Related Links | http://www.phcog.com/article.asp?issn=0973-1296;year=2018;volume=14;issue=55;spage=102;epage=109;aulast=Shine;type=2 |
| File Format | XHTML |
| ISSN | 09731296 |
| e-ISSN | 09764062 |
| DOI | 10.4103/pm.pm_453_17 |
| Journal | Pharmacognosy Magazine |
| Issue Number | 55 |
| Volume Number | 14 |
| Language | English |
| Publisher | Medknow |
| Publisher Date | 2018-01-01 |
| Access Restriction | Open |
| Subject Keyword | Integrative and Complementary Medicine Toxicology Liver Fibrosis Molecular Docking Naringenin Naringin Pharmacognosy Magazine, Volume 14, Issue 55 |
| Content Type | Text |
| Resource Type | Article |
| Subject | Drug Discovery Pharmaceutical Science |
