Title
In silico and in vitro identification of candidate SIRT1 activators from Indonesian medicinal plants compounds database.
Abstract
•Structure-based pharmacophores screening predicted that mulberrin as the potential candidate SIRT1 activator.•Ligand-based pharmacophores screening predicted that gartanin, quinidine, and quinine are the likely candidates SIRT1 activator.•The MM-GB(PB)SA calculations confirmed that mulberrin, gartanin, quinidine, and quinine showed activity at SIRT1 allosteric region.•Mulberrin, gartanin, quinidine, and quinine have been proven by in vitro assay as SIRT1 activator candidates.
Year
DOI
Venue
2019
10.1016/j.compbiolchem.2019.107096
Computational Biology and Chemistry
Keywords
Field
DocType
SIRT1 activator,Pharmacophore-based,Virtual screening,Indonesia medicinal plants database (HerbalDB),Molecular dynamics simulation
Docking (molecular),Pharmacophore,Biology,In vitro,Allosteric regulation,Quinidine,Activator (genetics),Virtual screening,Database,In silico
Journal
Volume
Issue
ISSN
83
C
1476-9271
Citations 
PageRank 
References 
0
0.34
0
Authors
6
Name
Order
Citations
PageRank
Azminah Azminah100.34
Linda Erlina200.34
Maksum Radji300.34
Abdul Mun'im400.34
Rezi Riadhi Syahdi500.34
Arry Yanuar601.35