Theoretical approaches to identify the potent scaffold for human sirtuin1 activator: Bayesian modeling and density functional theory

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Theoretical approaches to identify the potent scaffold for human sirtuin1 activator: Bayesian modeling and density functional theory

Bayesian and pharmacophore modeling approaches were utilized to identify the fragments and critical chemical features of small molecules that enhance sirtuin1 (SIRT1) activity. Initially, 48 Bayesian models (BMs) were developed by exploring 12 different fingerprints (ECFC, ECFP, EPFC, EPFP, FPFC, FP...

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Bibliographic Details
Main Authors:	Sakkiah, S., Arooj, Mahreen, Lee, K., Torres, J.
Format:	Journal Article
Published:	Birkhaeuser Science 2014
Subjects:	Sirtuin Density functional theory Ligand-based pharmacophore model Activator Bayesian model
Online Access:	http://hdl.handle.net/20.500.11937/40389

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