Polypharmacology: Challenges and Opportunities in Drug Discovery: Miniperspective

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Polypharmacology – Foe or Friend?

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Can we rationally design promiscuous drugs?

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Quo Vadis, Virtual Screening? A Comprehensive Survey of Prospective Applications

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An Interaction Network Predicted from Public Data as a Discovery Tool: Application to the Hsp90 Molecular Chaperone Machine

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Structure-Based Discovery of A 2A Adenosine Receptor Ligands

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Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

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Synthesis, Biological Evaluation, and Molecular Modeling of Donepezil and N-[(5-(Benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine Hybrids as New Multipotent Cholinesterase/Monoamine Oxidase Inhibitors for the Treatment of Alzheimer’s Disease

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Selectivity, Cocrystal Structures, and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B

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Modeling Promiscuity Based on in vitro Safety Pharmacology Profiling Data

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Navigating structure–activity landscapes

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Quantifying the Relationships among Drug Classes

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Organometallic Iridium(III) Anticancer Complexes with New Mechanisms of Action: NCI-60 Screening, Mitochondrial Targeting, and Apoptosis

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Drug Discovery Using Chemical Systems Biology: Weak Inhibition of Multiple Kinases May Contribute to the Anti-Cancer Effect of Nelfinavir

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Compound promiscuity: what can we learn from current data?

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On the origins of drug polypharmacology

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Repositioning of the anthelmintic drug mebendazole for the treatment for colon cancer

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Insights towards sulfonamide drug specificity in α-carbonic anhydrases

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Combination therapy in multiple sclerosis

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Systematic identification of proteins that elicit drug side effects

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The role of fragment-based and computational methods in polypharmacology

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Type II Kinase Inhibitors: An Opportunity in Cancer for Rational Design

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New Frontiers in Kinases: Second Generation Inhibitors

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Enrichment Factor Analyses on G-Protein Coupled Receptors with Known Crystal Structure

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Systematic Identification of Scaffolds Representing Compounds Active against Individual Targets and Single or Multiple Target Families

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Emerging Topics in Structure-Based Virtual Screening

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Mitochondrial Hsp90 Chaperones as Novel Molecular Targets in Prostate Cancer

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Promiscuity profiles of bioactive compounds: potency range and difference distributions and the relation to target numbers and families

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Addressing Selective Polypharmacology of Antipsychotic Drugs Targeting the Bioaminergic Receptors through Receptor Dynamic Conformational Ensembles

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Activity profile relationships between structurally similar promiscuous compounds

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Analysis of Lung Cancer Patients Enrolled in CTEP (Cancer Therapy Evaluation Program)-Sponsored Phase I Trials

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Artificial intelligence to deep learning: machine intelligence approach for drug discovery

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Polypharmacology by Design: A Medicinal Chemist’s Perspective on Multitargeting Compounds

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PROTACs: great opportunities for academia and industry (an update from 2020 to 2021)

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Novel pharmacological targets in drug development for the treatment of anxiety and anxiety-related disorders

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Targeting histone deacetylases for cancer therapy: Trends and challenges

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From combinations to multitarget-directed ligands: A continuum in Alzheimer’s disease polypharmacology

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Development of Dual Inhibitors Targeting Epidermal Growth Factor Receptor in Cancer Therapy

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Acute Toxicity-Supported Chronic Toxicity Prediction: A k-Nearest Neighbor Coupled Read-Across Strategy

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Multitarget PPARγ Agonists as Innovative Modulators of the Metabolic Syndrome

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Dual Inhibitors of AChE and BACE-1 for Reducing Aβ in Alzheimer’s Disease: From In Silico to In Vivo

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A proteomic platform to identify off-target proteins associated with therapeutic modalities that induce protein degradation or gene silencing

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Treatment Repurposing using Literature-related Discovery

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A data-driven methodology towards evaluating the potential of drug repurposing hypotheses

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