Repurposing of FDA approved ring systems through bi-directional target-ring system dual screening

Impact of a five-dimensional framework on R&D productivity at AstraZeneca

(2018) Paul Morgan et al.   NATURE REVIEWS DRUG DISCOVERY

Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay

(2018) Cheongyun Jang et al.   Scientific Reports

Chemistry-oriented synthesis (ChOS) and target deconvolution on neuroprotective effect of a novel scaffold, oxaza spiroquinone

(2018) Arramshetti Venkanna et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix

(2017) Hyoungrae Kim et al.   Journal of Cheminformatics

Pharmacological use of a novel scaffold, anomeric N,N-diarylamino tetrahydropyran: molecular similarity search, chemocentric target profiling, and experimental evidence

(2017) Arramshetti Venkanna et al.   Scientific Reports

The medicinal chemist's toolbox for late stage functionalization of drug-like molecules

(2016) Tim Cernak et al.   CHEMICAL SOCIETY REVIEWS

Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription

(2016) Yasushi Takemoto et al.   JOURNAL OF MEDICINAL CHEMISTRY

The ChEMBL database in 2017

(2016) Anna Gaulton et al.   NUCLEIC ACIDS RESEARCH

In silico methods for drug repurposing and pharmacology

(2016) Rachel A. Hodos et al.   Wiley Interdisciplinary Reviews-Systems Biology and Medicine

Design, Synthesis, and Evaluation of Novel Hybrid Efflux Pump Inhibitors for Use against Mycobacterium tuberculosis

(2016) Malkeet Kumar et al.   ACS Infectious Diseases

Finding new scaffolds of JAK3 inhibitors in public database: 3D-QSAR models & shape-based screening

(2015) Changdev G. Gadhe et al.   ARCHIVES OF PHARMACAL RESEARCH

Loratadine analogues as MAGL inhibitors

(2015) Jayendra Z. Patel et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

An Unexpected Mode Of Binding Defines BMS948 as A Full Retinoic Acid Receptor β (RARβ, NR1B2) Selective Agonist

(2015) Eswarkumar Nadendla et al.   PLoS One

Rings in Drugs

(2014) Richard D. Taylor et al.   JOURNAL OF MEDICINAL CHEMISTRY

Decision-making in product portfolios of pharmaceutical research and development – managing streams of innovation in highly regulated markets

(2014) Antii Jekunen   Drug Design Development and Therapy

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

(2013) G. Madhavi Sastry et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

All-Trans-Retinoic Acid Rescues Neurons After Global Ischemia by Attenuating Neuroinflammatory Reactions

(2013) Jeong Hwan Kim et al.   NEUROCHEMICAL RESEARCH

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

(2010) Jonathan B. Baell et al.   JOURNAL OF MEDICINAL CHEMISTRY