Molecular docking studies on potential PPAR-γ agonist from Rhizophora apiculata
Peroxisome proliferator-activated receptor gamma (PPAR-γ) agonists are beneficial in the management of diabetes by increasing insulin sensitivity and inhibiting hepatic gluconeogenesis. The aim of the present study was to isolate and evaluate PPAR-γ agonist property of phytocompounds from Rhizophora...
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| Format: | Article |
| Language: | English |
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Bangladesh Pharmacological Society
2014-07-01
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| Series: | Bangladesh Journal of Pharmacology |
| Subjects: | |
| Online Access: | https://www.banglajol.info/index.php/BJP/article/view/18915 |
| _version_ | 1818145327902883840 |
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| author | Gurudeeban Selvaraj Satyavani Kaliamurthi Ramanathan Thirugnanasambandam |
| author_facet | Gurudeeban Selvaraj Satyavani Kaliamurthi Ramanathan Thirugnanasambandam |
| author_sort | Gurudeeban Selvaraj |
| collection | DOAJ |
| description | Peroxisome proliferator-activated receptor gamma (PPAR-γ) agonists are beneficial in the management of diabetes by increasing insulin sensitivity and inhibiting hepatic gluconeogenesis. The aim of the present study was to isolate and evaluate PPAR-γ agonist property of phytocompounds from Rhizophora apiculata using in silico approach. 30 g powdered leaves of R. apiculata extracted through acid-base method and subjected to GC-MS analysis. GC-MS results identified 18 phytocompounds, among those major peaks were 1-adamantyl-p-methylbenzalimine, clivorin, 4-butyl pyridine, 1-oxide, acetamide and p-aminodiethylaniline. In silico analysis of major compounds on human PPAR-γ protein was determined by AutoDock 4.0. Compared to thiazolidinediones, R. apiculata derived ligands acts as a potential agonist with binding energy -4.41, -5.29, -5.28 and -4.27 kcal/mol respectively. The molecular interaction of ligands was at residues of TYR473, ILE326, ARG288, HIS323 and ARG 288 to activate the action of PPAR-γ protein. |
| first_indexed | 2024-12-11T12:01:42Z |
| format | Article |
| id | doaj.art-1befa5f3822a4889878e21d0d23341a6 |
| institution | Directory Open Access Journal |
| issn | 1991-0088 |
| language | English |
| last_indexed | 2024-12-11T12:01:42Z |
| publishDate | 2014-07-01 |
| publisher | Bangladesh Pharmacological Society |
| record_format | Article |
| series | Bangladesh Journal of Pharmacology |
| spelling | doaj.art-1befa5f3822a4889878e21d0d23341a62022-12-22T01:08:04ZengBangladesh Pharmacological SocietyBangladesh Journal of Pharmacology1991-00882014-07-0193Molecular docking studies on potential PPAR-γ agonist from Rhizophora apiculataGurudeeban Selvaraj0Satyavani Kaliamurthi1Ramanathan Thirugnanasambandam2Center of Advanced Study in Marine Biology, Faculty of Marine Sciences, Annamalai University, Parangipettai 608502, Tamil NaduCenter of Advanced Study in Marine Biology, Faculty of Marine Sciences, Annamalai University, Parangipettai 608502, Tamil NaduCenter of Advanced Study in Marine Biology, Faculty of Marine Sciences, Annamalai University, Parangipettai 608502, Tamil NaduPeroxisome proliferator-activated receptor gamma (PPAR-γ) agonists are beneficial in the management of diabetes by increasing insulin sensitivity and inhibiting hepatic gluconeogenesis. The aim of the present study was to isolate and evaluate PPAR-γ agonist property of phytocompounds from Rhizophora apiculata using in silico approach. 30 g powdered leaves of R. apiculata extracted through acid-base method and subjected to GC-MS analysis. GC-MS results identified 18 phytocompounds, among those major peaks were 1-adamantyl-p-methylbenzalimine, clivorin, 4-butyl pyridine, 1-oxide, acetamide and p-aminodiethylaniline. In silico analysis of major compounds on human PPAR-γ protein was determined by AutoDock 4.0. Compared to thiazolidinediones, R. apiculata derived ligands acts as a potential agonist with binding energy -4.41, -5.29, -5.28 and -4.27 kcal/mol respectively. The molecular interaction of ligands was at residues of TYR473, ILE326, ARG288, HIS323 and ARG 288 to activate the action of PPAR-γ protein.https://www.banglajol.info/index.php/BJP/article/view/18915AlkaloidAutodockClivorinMangrovePPAR-γType 2 diabetes |
| spellingShingle | Gurudeeban Selvaraj Satyavani Kaliamurthi Ramanathan Thirugnanasambandam Molecular docking studies on potential PPAR-γ agonist from Rhizophora apiculata Bangladesh Journal of Pharmacology Alkaloid Autodock Clivorin Mangrove PPAR-γ Type 2 diabetes |
| title | Molecular docking studies on potential PPAR-γ agonist from Rhizophora apiculata |
| title_full | Molecular docking studies on potential PPAR-γ agonist from Rhizophora apiculata |
| title_fullStr | Molecular docking studies on potential PPAR-γ agonist from Rhizophora apiculata |
| title_full_unstemmed | Molecular docking studies on potential PPAR-γ agonist from Rhizophora apiculata |
| title_short | Molecular docking studies on potential PPAR-γ agonist from Rhizophora apiculata |
| title_sort | molecular docking studies on potential ppar γ agonist from rhizophora apiculata |
| topic | Alkaloid Autodock Clivorin Mangrove PPAR-γ Type 2 diabetes |
| url | https://www.banglajol.info/index.php/BJP/article/view/18915 |
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