Identification of New Inhibitors for Human SIRT1: An in-silico Approach.
Padmanabhan B, Ramu M, Mathur S, Unni S, Thiyagarajan S. Identification of New Inhibitors for Human SIRT1: An in-silico Approach. Medicinal Chemistry 2016, 12: 347-61. PMID: 26740209, DOI: 10.2174/1573406412666160107111612.Peer-Reviewed Original ResearchMeSH KeywordsBenzhydryl CompoundsChromonesComputer SimulationEnzyme InhibitorsHumansMolecular Docking SimulationMolecular Dynamics SimulationSirtuin 1ConceptsMolecular dynamics simulationsDynamics simulationsNew chemical librariesInhibitor compoundsChemical librariesCrystal structureStructure-based methodsUseful scaffoldsVirtual screeningChemical classesAutoDock VinaCompoundsNew inhibitorsDiphenylNew classSilico approachInhibitory activityTreatment of cancerComplex structureStructureDerivativesVinaScaffoldsAvailable drugsHuman SIRT1