2016-09-29T05-30-58Z
Source: Journal of Applied Pharmaceutical Science
M. Muchtaridi, Karen Low, Keri Lestari.
In this study, we created pharmacophore models from a dataset of agonists for PPAR gamma receptor using the Catalyst/Hypogen module. A training set consists of 22 compounds activity range between 0.1 to 3,500 nM, were carefully selected. In previous study, molecular docking of macelignan against PPARγ binding pocket showed a free energy binding of -11.07 kJ/mol, interaction with the hydrophobic pocket (diphenyl pocket) (Celik et al., 2007), and a hydrogen bond network (His323, Tyr473, His449 and Ser289) . The pharmacophore model (Hypo1), consisting of 5 features, i.e. one hydrogen bond acceptor (HBA), negative ionizable (NI), ring aromatic (RA) and two hydrophobics (HY) features, and one excluded volume. Hypo1 has the lowest total cost value (92.055), the highest cost difference (40,9316), the lowest RMSD (0.591049), and the best correlation coefficient (0.972949). Fourteen natural reported from nutmeg seeds (Myristica fragrans HOUTT.) were then mapped against Hypo1, and macelignan shows a fair fit value of 7.00102 with an estimated value of 1271.990 nM. This concludes, macelignant in nutmeg might have antidiabetic properties via PPARγ receptor activation.
http://ift.tt/2dtO4qH
Πέμπτη 29 Σεπτεμβρίου 2016
The in Silico Study of Nutmeg Seeds (Myristica fragrans Houtt) as Peroxisome Proliferator Activated Receptor Gamma Activator Using 3D-QSAR Pharmacophore Modelling
Εγγραφή σε:
Σχόλια ανάρτησης (Atom)
Δημοφιλείς αναρτήσεις
-
Publication date: Available online 4 January 2018 Source: European Journal of Radiology Author(s): Peiyao Zhang, Jing Wang, Qin Xu, Zhen...
-
Publication date: March 2017 Source: Free Radical Biology and Medicine, Volume 104 from #AlexandrosSfakianakis via Alexandros G.Sfak...
-
Dtsch med Wochenschr DOI: 10.1055/s-0043-100054 Hintergrund und Fragestellung Ein etablierter Weg, die optimale Behandlung von Tumorpatien...
-
Antibodies, Vol. 9, Pages 21: Construction of Ant... In Vivo and In Vitro Evaluation of Bull Semen Pro... Vertebral artery fenestration mimi...
-
Abstract Purpose F-18 fluorodeoxyglucose (FDG) positron emission tomography (PET) is emerging to be a useful tool in supporting the diag...
-
Does CBD Oil Lower Blood Pressure? This article was originally published at SundayScaries." Madeline Taylor POSTED ON January 13, 20...
-
Publication date: December 2017 Source: Advances in Biological Regulation, Volume 66 Author(s): Lauren Rusnak, Haian Fu The mitogen-activ...
-
Medicine by Alexandros G. Sfakianakis,Anapafseos 5 Agios Nikolaos 72100 Crete Greece,00302841026182, Butyric Acid from Probiotic Staphyloco...
-
Correction to: The IL-23p19/EBI3 heterodimeric cytokine termed IL-39 remains a theoretical cytokine in man The original article can be found...
Δεν υπάρχουν σχόλια:
Δημοσίευση σχολίου