Matches in SemOpenAlex for { <https://semopenalex.org/work/W4320020005> ?p ?o ?g. }
Showing items 1 to 74 of
74
with 100 items per page.
- W4320020005 endingPage "49" @default.
- W4320020005 startingPage "45" @default.
- W4320020005 abstract "Objective: Obesity is a major contributor to comorbid diseases based on low grade chronic inflammation. Omega-3 fatty acids have a role in inflammation so it is thought to prevent obesity. This study was conducted to analyze the stability of omega-3 fatty acids with the PPAR-γ receptor using molecular dynamic simulation to investigate the relationship of macromolecule interactions to biologically relevant as an obesity comorbid.
 Methods: The methods consisted of ligand acquisition, molecular dynamic simulation, and analysis of dynamic molecular results using Gromacs 2016.3 software and the results of the MD analysis were carried out by simulating time with VMD software and graphing the results of MD data analysis using Microsoft Excel.
 Results: The result showed that docosahexaenoic acid (DHA), docosapentaenoic acid (DPA), and heneicosapentaenoic acid (HPA) have good stability. Average RMSD values of DHA, DPA, and HPA were 0.347 Å, 0.464 Å, and 0.706 Å with similar pattern of fluctuation across the region. DHA forms a hydrogen bond to Tyr347 and Leu343. Meanwhile, DPA binds to Asn52 and HPA bind to Arg213. DHA, DPA, and HPA have an average SASA of 233.91 nm2, 231.47 nm2, and 225.52 nm2, respectively. DHA has the lowest total binding energy (-129.914 kJ/mol) compared to DPA (-102.018 kJ/mol) and HPA (-115.992 kJ/mol).
 Conclusion: Based on the molecular dynamics simulation approach, omega-3 compounds, DHA, DPA, and HPA showed that DHA has good stability compared to DPA and HPA. DHA, DPA, and HPA can be used as lead drugs to bind to PPAR-γ receptors to prevent and treat obesity." @default.
- W4320020005 created "2023-02-11" @default.
- W4320020005 creator A5009547489 @default.
- W4320020005 creator A5033731192 @default.
- W4320020005 creator A5066598711 @default.
- W4320020005 creator A5088017633 @default.
- W4320020005 date "2022-12-27" @default.
- W4320020005 modified "2023-09-30" @default.
- W4320020005 title "STABILITY OF OMEGA-3 COMPOUNDS COMPLEX WITH PPAR-γ RECEPTOR AS AN ANTI-OBESITY USING MOLECULAR DYNAMIC SIMULATION" @default.
- W4320020005 cites W1971700349 @default.
- W4320020005 cites W2044172327 @default.
- W4320020005 cites W2143969656 @default.
- W4320020005 cites W2179425537 @default.
- W4320020005 cites W2585568560 @default.
- W4320020005 cites W2594598941 @default.
- W4320020005 cites W2763071190 @default.
- W4320020005 cites W2990403150 @default.
- W4320020005 cites W3048065091 @default.
- W4320020005 cites W3161142285 @default.
- W4320020005 cites W3163783579 @default.
- W4320020005 cites W4200572636 @default.
- W4320020005 cites W4283213042 @default.
- W4320020005 doi "https://doi.org/10.22159/ijap.2022.v14s5.04" @default.
- W4320020005 hasPublicationYear "2022" @default.
- W4320020005 type Work @default.
- W4320020005 citedByCount "0" @default.
- W4320020005 crossrefType "journal-article" @default.
- W4320020005 hasAuthorship W4320020005A5009547489 @default.
- W4320020005 hasAuthorship W4320020005A5033731192 @default.
- W4320020005 hasAuthorship W4320020005A5066598711 @default.
- W4320020005 hasAuthorship W4320020005A5088017633 @default.
- W4320020005 hasBestOaLocation W43200200051 @default.
- W4320020005 hasConcept C147597530 @default.
- W4320020005 hasConcept C151730666 @default.
- W4320020005 hasConcept C170493617 @default.
- W4320020005 hasConcept C185592680 @default.
- W4320020005 hasConcept C19038510 @default.
- W4320020005 hasConcept C2776335000 @default.
- W4320020005 hasConcept C2777171753 @default.
- W4320020005 hasConcept C2781349093 @default.
- W4320020005 hasConcept C543025807 @default.
- W4320020005 hasConcept C55493867 @default.
- W4320020005 hasConcept C59593255 @default.
- W4320020005 hasConcept C86803240 @default.
- W4320020005 hasConceptScore W4320020005C147597530 @default.
- W4320020005 hasConceptScore W4320020005C151730666 @default.
- W4320020005 hasConceptScore W4320020005C170493617 @default.
- W4320020005 hasConceptScore W4320020005C185592680 @default.
- W4320020005 hasConceptScore W4320020005C19038510 @default.
- W4320020005 hasConceptScore W4320020005C2776335000 @default.
- W4320020005 hasConceptScore W4320020005C2777171753 @default.
- W4320020005 hasConceptScore W4320020005C2781349093 @default.
- W4320020005 hasConceptScore W4320020005C543025807 @default.
- W4320020005 hasConceptScore W4320020005C55493867 @default.
- W4320020005 hasConceptScore W4320020005C59593255 @default.
- W4320020005 hasConceptScore W4320020005C86803240 @default.
- W4320020005 hasLocation W43200200051 @default.
- W4320020005 hasOpenAccess W4320020005 @default.
- W4320020005 hasPrimaryLocation W43200200051 @default.
- W4320020005 hasRelatedWork W1927443563 @default.
- W4320020005 hasRelatedWork W1996071127 @default.
- W4320020005 hasRelatedWork W2013566403 @default.
- W4320020005 hasRelatedWork W2071306619 @default.
- W4320020005 hasRelatedWork W2083247227 @default.
- W4320020005 hasRelatedWork W2095782018 @default.
- W4320020005 hasRelatedWork W2336136860 @default.
- W4320020005 hasRelatedWork W2913185072 @default.
- W4320020005 hasRelatedWork W850527942 @default.
- W4320020005 hasRelatedWork W2189526387 @default.
- W4320020005 isParatext "false" @default.
- W4320020005 isRetracted "false" @default.
- W4320020005 workType "article" @default.