Hit evaluation results in 5-benzyl-1,3,4-thiadiazole-2-carboxamide based SIRT2-selective inhibitor with improved affinity and selectivity

An Effective MM/GBSA Protocol for Absolute Binding Free Energy Calculations: A Case Study on SARS-CoV-2 Spike Protein and the Human ACE2 Receptor

(2021) Negin Forouzesh et al.   MOLECULES

Drug repurposing for ligand-induced rearrangement of Sirt2 active site-based inhibitors via molecular modeling and quantum mechanics calculations

(2021) Shiv Bharadwaj et al.   Scientific Reports

Pharmacological Advantage of SIRT2-Selective versus pan-SIRT1–3 Inhibitors

(2021) Jun Young Hong et al.   ACS Chemical Biology

The role of SIRT2 in cancer: a novel therapeutic target

(2020) Guangyuan Chen et al.   INTERNATIONAL JOURNAL OF CANCER

Structure activity study of S-trityl-cysteamine dimethylaminopyridine derivatives as SIRT2 inhibitors: Improvement of SIRT2 binding and inhibition

(2020) Mohamed O. Radwan et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

The Clinical Significance of SIRT2 in Malignancies: A Tumor Suppressor or an Oncogene?

(2020) Lin Zhang et al.   Frontiers in Oncology

Hit-to-lead optimization on aryloxybenzamide derivative virtual screening hit against SIRT

(2020) Semih Yagci et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Dual Tumor Suppressor and Tumor Promoter Action of Sirtuins in Determining Malignant Phenotype

(2019) Vincenzo Carafa et al.   Frontiers in Pharmacology

New SIRT2 inhibitors: Histidine-based bleomycin spin-off

(2019) Taha F.S. Ali et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Identification of Diketopiperazine-Containing 2-Anilinobenzamides as Potent Sirtuin 2 (SIRT2)-Selective Inhibitors Targeting the “Selectivity Pocket”, Substrate-Binding Site, and NAD+-Binding Site

(2019) Paolo Mellini et al.   JOURNAL OF MEDICINAL CHEMISTRY

End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

(2019) Ercheng Wang et al.   CHEMICAL REVIEWS

Pharmacophore modeling and virtual screening studies to identify novel selective SIRT2 inhibitors

(2019) Gokcen Eren et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Current role of mammalian sirtuins in DNA repair

(2019) Francisco Alejandro Lagunas-Rangel   DNA REPAIR

D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitors

(2019) Sukanya Sasmal et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

SIRT2 reduces actin polymerization and cell migration through deacetylation and degradation of HSP90

(2018) Jung Sun Min et al.   BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH

X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells

(2018) Ling-Ling Yang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Novel small molecule SIRT2 inhibitors induce cell death in leukemic cell lines

(2018) Tomohiro Kozako et al.   BMC CANCER

Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure–Activity Relationship, X-ray Crystal Structure, and Anticancer Activity

(2017) Sébastien Moniot et al.   JOURNAL OF MEDICINAL CHEMISTRY

Potent mechanism-based sirtuin-2-selective inhibition by an in situ-generated occupant of the substrate-binding site, “selectivity pocket” and NAD+-binding site

(2017) Paolo Mellini et al.   Chemical Science

Identification of a Selective SIRT2 Inhibitor and Its Anti-breast Cancer Activity

(2016) Asad Ali Shah et al.   BIOLOGICAL & PHARMACEUTICAL BULLETIN

A SIRT2-Selective Inhibitor Promotes c-Myc Oncoprotein Degradation and Exhibits Broad Anticancer Activity

(2016) Hui Jing et al.   CANCER CELL

Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure–Activity Relationship Study

(2016) Matthias Schiedel et al.   JOURNAL OF MEDICINAL CHEMISTRY

5-((3-Amidobenzyl)oxy)nicotinamides as Sirtuin 2 Inhibitors

(2016) Teng Ai et al.   JOURNAL OF MEDICINAL CHEMISTRY

Sirtuin functions and modulation: from chemistry to the clinic

(2016) Vincenzo Carafa et al.   Clinical Epigenetics

Design, synthesis and structure–activity relationship studies of novel sirtuin 2 (SIRT2) inhibitors with a benzamide skeleton

(2015) Taki Sakai et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Sirtuins in Cancer: a Balancing Act between Genome Stability and Metabolism

(2015) Seung Min Jeong et al.   MOLECULES AND CELLS

Selective Sirt2 inhibition by ligand-induced rearrangement of the active site

(2015) Tobias Rumpf et al.   Nature Communications

Chroman-4-one- and Chromone-Based Sirtuin 2 Inhibitors with Antiproliferative Properties in Cancer Cells

(2014) Tina Seifert et al.   JOURNAL OF MEDICINAL CHEMISTRY

Sirtuins' modulation of autophagy

(2013) Fanny Ng et al.   JOURNAL OF CELLULAR PHYSIOLOGY

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

Effects of Aromatic Trifluoromethylation, Fluorination, and Methylation on Intermolecular π–π Interactions

(2013) Jeffery D. Mottishaw et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Sirtuin-2 Activity is Required for Glioma Stem Cell Proliferation Arrest but not Necrosis Induced by Resveratrol

(2013) Salwa Sayd et al.   Stem Cell Reviews and Reports

An unusual taxodione derivative from hairy roots of Salvia austriaca

(2012) Łukasz Kuźma et al.   FITOTERAPIA

A Brain-Permeable Small Molecule Reduces Neuronal Cholesterol by Inhibiting Activity of Sirtuin 2 Deacetylase

(2011) David M. Taylor et al.   ACS Chemical Biology