Ligand-based virtual screening and inductive learning for identification of SIRT1 inhibitors in natural products

Structure-based drug design of small molecule SIRT1 modulators to treat cancer and metabolic disorders

(2014) Venkat Koushik Pulla et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3

(2013) Jeremy S. Disch et al.   JOURNAL OF MEDICINAL CHEMISTRY

The 2.5 Å Crystal Structure of the SIRT1 Catalytic Domain Bound to Nicotinamide Adenine Dinucleotide (NAD+) and an Indole (EX527 Analogue) Reveals a Novel Mechanism of Histone Deacetylase Inhibition

(2013) Xun Zhao et al.   JOURNAL OF MEDICINAL CHEMISTRY

SIRT1 in Type 2 Diabetes: Mechanisms and Therapeutic Potential

(2013) Munehiro Kitada et al.   Diabetes & Metabolism Journal

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

(2012) Christopher A. Lipinski et al.   ADVANCED DRUG DELIVERY REVIEWS

Synthesis and biological characterisation of sirtuin inhibitors based on the tenovins

(2012) Anna R. McCarthy et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Novel acridinedione derivatives: Design, synthesis, SIRT1 enzyme and tumor cell growth inhibition studies

(2012) Mallika Alvala et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Ethylenediamine diacetate (EDDA) mediated synthesis of aurones under ultrasound: Their evaluation as inhibitors of SIRT1

(2012) Khanapur Manjulatha et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Identification of benzofuran-3-yl(phenyl)methanones as novel SIRT1 inhibitors: Binding mode, inhibitory mechanism and biological action

(2012) Jiahui Wu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Design, Synthesis, and Biological Activity of a Novel Series of Human Sirtuin-2-Selective Inhibitors

(2012) Takayoshi Suzuki et al.   JOURNAL OF MEDICINAL CHEMISTRY

Benzodeazaoxaflavins as Sirtuin Inhibitors with Antiproliferative Properties in Cancer Stem Cells

(2012) Dante Rotili et al.   JOURNAL OF MEDICINAL CHEMISTRY

Creation of an HDAC-Based Yeast Screening Method for Evaluation of Marine-Derived Actinomycetes: Discovery of Streptosetin A

(2012) Taro Amagata et al.   JOURNAL OF NATURAL PRODUCTS

TCMID: traditional Chinese medicine integrative database for herb molecular mechanism analysis

(2012) Ruichao Xue et al.   NUCLEIC ACIDS RESEARCH

Simplification of the tetracyclic SIRT1-selective inhibitor MC2141: Coumarin- and pyrimidine-based SIRT1/2 inhibitors with different selectivity profile

(2011) Dante Rotili et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Synthesis and biological activity of splitomicin analogs targeted at human NAD+-dependent histone deacetylases (sirtuins)

(2011) Marcus Freitag et al.   BIOORGANIC & MEDICINAL CHEMISTRY

A mechanism-based potent sirtuin inhibitor containing Nε-thiocarbamoyl-lysine (TuAcK)

(2011) Brett M. Hirsch et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Identification of Small-Molecule Inhibitors of the XendoU Endoribonucleases Family

(2011) Rino Ragno et al.   ChemMedChem

Structure-Based Design of Pseudopeptidic Inhibitors for SIRT1 and SIRT2

(2011) Tero Huhtiniemi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Two-Step Synthesis of Novel, Bioactive Derivatives of the Ubiquitous Cofactor Nicotinamide Adenine Dinucleotide (NAD)

(2011) Thomas Pesnot et al.   JOURNAL OF MEDICINAL CHEMISTRY

Databases aim to bridge the East-West divide of drug discovery

(2011) Katharine Sanderson   NATURE MEDICINE

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Inhibition of SIRT1 by a small molecule induces apoptosis in breast cancer cells

(2010) Arunasree M. Kalle et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Nε-Modified lysine containing inhibitors for SIRT1 and SIRT2

(2010) Tero Huhtiniemi et al.   BIOORGANIC & MEDICINAL CHEMISTRY

SRT1720, SRT2183, SRT1460, and Resveratrol Are Not Direct Activators of SIRT1

(2010) Michelle Pacholec et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Molecular Graph Augmentation with Rings and Functional Groups

(2010) Kurt De Grave et al.   Journal of Chemical Information and Modeling

SIRT1 Modulation as a Novel Approach to the Treatment of Diseases of Aging

(2010) Charles A. Blum et al.   JOURNAL OF MEDICINAL CHEMISTRY

SIRT1 Regulates UV-Induced DNA Repair through Deacetylating XPA

(2010) Wei Fan et al.   MOLECULAR CELL

Identification of a small molecule SIRT2 inhibitor with selective tumor cytotoxicity

(2009) Yingjia Zhang et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Identification and characterization of novel sirtuin inhibitor scaffolds

(2009) Brandi D. Sanders et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Design, synthesis, enzyme inhibition, and tumor cell growth inhibition of 2-anilinobenzamide derivatives as SIRT1 inhibitors

(2009) Takayoshi Suzuki et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Identification of a cell-active non-peptide sirtuin inhibitor containing N-thioacetyl lysine

(2009) Takayoshi Suzuki et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Bisnaphthalimidopropyl Derivatives as Inhibitors ofLeishmaniaSIR2 Related Protein 1

(2009) Joana Tavares et al.   ChemMedChem

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Nϵ-Thioacetyl-Lysine-Containing Tri-, Tetra-, and Pentapeptides as SIRT1 and SIRT2 Inhibitors

(2009) Päivi H. Kiviranta et al.   JOURNAL OF MEDICINAL CHEMISTRY

Novel Cambinol Analogs as Sirtuin Inhibitors: Synthesis, Biological Evaluation, and Rationalization of Activity

(2009) Federico Medda et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of Imidazo[1,2-b]thiazole Derivatives as Novel SIRT1 Activators

(2009) Chi B. Vu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Study of 1,4-Dihydropyridine Structural Scaffold: Discovery of Novel Sirtuin Activators and Inhibitors

(2009) Antonello Mai et al.   JOURNAL OF MEDICINAL CHEMISTRY

Novel 3-Arylideneindolin-2-ones as Inhibitors of NAD+-Dependent Histone Deacetylases (Sirtuins)

(2009) Kilian Huber et al.   JOURNAL OF MEDICINAL CHEMISTRY

Characterization of Sirtuin Inhibitors in Nematodes Expressing a Muscular Dystrophy Protein Reveals Muscle Cell and Behavioral Protection by Specific Sirtinol Analogues

(2009) Matthieu Y. Pasco et al.   JOURNAL OF MEDICINAL CHEMISTRY

Inhibition of Human Sirtuins by in Situ Generation of an Acetylated Lysine−ADP−Ribose Conjugate

(2009) Tomomi Asaba et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Recent progress in the biology and physiology of sirtuins

(2009) Toren Finkel et al.   NATURE

Discovery of oxazolo[4,5-b]pyridines and related heterocyclic analogs as novel SIRT1 activators

(2008) Jean E. Bemis et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Thiobarbiturates as Sirtuin Inhibitors: Virtual Screening, Free-Energy Calculations, and Biological Testing

(2008) Urszula Uciechowska et al.   ChemMedChem

Oxadiazole-carbonylaminothioureas as SIRT1 and SIRT2 Inhibitors

(2008) Tero Huhtiniemi et al.   JOURNAL OF MEDICINAL CHEMISTRY