scholarly journals Penambatan molekul senyawa turunan orizanol terhadap enzim 3-hydroxy-3-methyl-glutaryl-coenzyme A (HMG-CoA) reduktase

2020 ◽  
Vol 4 (1) ◽  
pp. 43
Author(s):  
Syaikhul Aziz ◽  
Nur Adliani ◽  
Sukrasno Sukrasno

Oryzanol has been reported to reduce serum total cholesterol (hypolipidemic agent) by inhibiting HMG-CoA reductase, an enzyme responsible for the metabolic pathway that produces cholesterol and isoprenoid. The purpose of this experiment is to determine the inhibition activity of oryzanol derivatives on HMG-CoA reductase by molecular docking. Four structure of oryzanol derivatives, Lanosteryl-ferulate, Brassicasteryl-ferulate, Lupeol-ferulate, and Cholesteryl-ferulate were used as ligands for molecular docking. The HMG-CoA reductase structure was obtained from protein data bank and the study was performed using AutoDock Tools as a molecular docking software. All oryzanol derivatives show binding affinity against HMG-CoA reductase. Lupeol-ferulate was predicted to be the best inhibitory activity against HMG-CoA reductase because of molecular docking.

2005 ◽  
Vol 15 (4) ◽  
pp. 989-994 ◽  
Author(s):  
José Luis Medina-Franco ◽  
Fabián López-Vallejo ◽  
Sergio Rodríguez-Morales ◽  
Rafael Castillo ◽  
Germán Chamorro ◽  
...  

Author(s):  
Bongani Sicelo Dlamini ◽  
Carlos Eduardo Hernandez ◽  
Chiy-Rong Chen ◽  
Wen-Ling Shih ◽  
Jue-Liang Hsu ◽  
...  

2015 ◽  
pp. 509 ◽  
Author(s):  
Gunasekaran Baskaran ◽  
Mohd Yunus Shukor ◽  
Shamala Salvamani ◽  
Siti Aqlima Ahmad ◽  
Noor Azmi Shaharuddin ◽  
...  

Author(s):  
A. Amala Lourthuraj ◽  
M. Masilamani Selvam ◽  
Bharathi Ravikrishnan ◽  
M. Vinoth ◽  
Waheeta Hopper

Objective: The present research was aimed to understand the molecular docking efficiency of a plant-derived compound cleistanthin-A and a common ingredient in tobacco consumption nicotine with nicotinic acetylcholine receptor (nAChR).Methods: The 3-D structure of nAChR was retrieved from the protein data bank (ID 5AFH). Ligand was obtained from the PUBCHEM. The in silico protocol comprised of three steps: high-throughput virtual screening (HTVS), standard preci­sion (SP) and extra precision (XP). The screened molecules were ranked accordingly using glide score. Schrödinger tool was used to perform the docking analysis.Results: The binding efficiency of the nicotine and cleistanthin-A was found to be docked at the cys-cys loop of the receptor. Based upon the glide score and glide energy it can be reported that, nicotine binding can be inhibited by the binding of cleistanthin-A to the nAChR.Conclusion: The docking efficiency of cleistanthin-A was good compared to nicotine towards nAChR. Hence, cleistanthin–A was derived as a better choice as an alternative for nicotine in smoke therapy.


Heliyon ◽  
2019 ◽  
Vol 5 (4) ◽  
pp. e01485
Author(s):  
Lanny Hartanti ◽  
Stefania Maureen Kasih Yonas ◽  
Josianne Jacqlyn Mustamu ◽  
Sumi Wijaya ◽  
Henry Kurnia Setiawan ◽  
...  

2014 ◽  
Vol 16 (17) ◽  
pp. 4376-4379 ◽  
Author(s):  
Kuang-Chan Hsieh ◽  
Chai-Lin Kao ◽  
Chien-Wei Feng ◽  
Zhi-Hong Wen ◽  
Hsin-Fang Chang ◽  
...  

2018 ◽  
Vol 10 (6s) ◽  
pp. s141-s146
Author(s):  
Herra Williany Monalissa ◽  
Berna Elya ◽  
Nuraini Puspitasari

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