Drug Discovery

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  Subject Areas on Research

  • 10 x '20 Progress--development of new drugs active against gram-negative bacilli: an update from the Infectious Diseases Society of America. 
  • 2014 Report on the Milestones for the US National Plan to Address Alzheimer's Disease. 
  • A Deep Learning Approach to Antibiotic Discovery. 
  • A Precision Medicine Drug Discovery Pipeline Identifies Combined CDK2 and 9 Inhibition as a Novel Therapeutic Strategy in Colorectal Cancer. 
  • A kernel for open source drug discovery in tropical diseases. 
  • A network-heuristic approach to improve the impact of genomic data on drug discovery. 
  • A new trial design to accelerate tuberculosis drug development: the Phase IIC Selection Trial with Extended Post-treatment follow-up (STEP). 
  • A pathway and approach to biomarker validation and qualification for osteoarthritis clinical trials. 
  • A rapid and affordable screening platform for membrane protein trafficking. 
  • A review of three-dimensional in vitro tissue models for drug discovery and transport studies. 
  • A time-tested ex vivo model of thrombosis: from pathophysiology to drug development and disease application. 
  • AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis. 
  • Accepting risk in the acceleration of drug development for rare cancers. 
  • Active immunotherapy for TNF-mediated inflammation using self-assembled peptide nanofibers. 
  • Active learning for computational chemogenomics. 
  • Active-learning strategies in computer-assisted drug discovery. 
  • Addressing Antimicrobial Resistance and Stewardship: The Priority Antimicrobial Value and Entry (PAVE) Award. 
  • Advances and challenges: dendritic cell vaccination strategies for glioblastoma. 
  • Advances in basic and translational tuberculosis research: Proceedings of the first meeting of RePORT international. 
  • An accelerated pathway for targeted cancer therapies. 
  • An overview of naturally occurring histone deacetylase inhibitors. 
  • Antibiotic development - economic, regulatory and societal challenges. 
  • Application of biomarkers in the development of drugs intended for the treatment of osteoarthritis. 
  • Application of combined omics platforms to accelerate biomedical discovery in diabesity. 
  • Application of inorganic chemistry for non-cancer therapeutics. 
  • Artificial intelligence in chemistry and drug design. 
  • Biased Allosteric Modulators: New Frontiers in GPCR Drug Discovery. 
  • Biased G Protein-Coupled Receptor Signaling: Changing the Paradigm of Drug Discovery. 
  • Bioelectronic medicines: a research roadmap. 
  • Biomarkers for smoking cessation. 
  • Biomarkers in castration-resistant prostate cancer. 
  • Biosimilars in rheumatology: understanding the rigor of their development. 
  • Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. 
  • Building a drug development database: challenges in reliable data availability. 
  • Calcineurin in fungal virulence and drug resistance: Prospects for harnessing targeted inhibition of calcineurin for an antifungal therapeutic approach. 
  • Can we mimic skeletal muscles for novel drug discovery? 
  • Cardiovascular adverse events in the drug-development program of bupropion for smoking cessation: A systematic retrospective adjudication effort. 
  • Cardiovascular drug development: is it dead or just hibernating? 
  • Cellular senescence: from anti-cancer weapon to anti-aging target. 
  • Central Role of the Trehalose Biosynthesis Pathway in the Pathogenesis of Human Fungal Infections: Opportunities and Challenges for Therapeutic Development. 
  • Chemical Denaturation and Protein Precipitation Approach for Discovery and Quantitation of Protein-Drug Interactions. 
  • Cheminformatic Analysis of Natural Product Fragments. 
  • Colorectal cancer models for novel drug discovery. 
  • Comment: Compulsory Licensing of Patented Pharmaceutical Inventions: Evaluating the Options 
  • Community guidelines for GPCR ligand bias: IUPHAR review 32. 
  • Computational advances in combating colloidal aggregation in drug discovery. 
  • Computer-aided Discovery of a New Nav1.7 Inhibitor for Treatment of Pain and Itch. 
  • Coping with polypharmacology by computational medicinal chemistry. 
  • Counting on natural products for drug design. 
  • Current therapies and future possibilities for drug development against liver-stage malaria. 
  • De Novo Fragment Design for Drug Discovery and Chemical Biology. 
  • Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands. 
  • Developing High-Throughput Assays to Analyze and Screen Electrophysiological Phenotypes. 
  • Developing New Treatments for Heart Failure: Focus on the Heart. 
  • Development of a Fluorescence-Based, High-Throughput SARS-CoV-2 3CLpro Reporter Assay. 
  • Development of a Pediatric Physiologically-Based Pharmacokinetic Model of Clindamycin Using Opportunistic Pharmacokinetic Data. 
  • Development of a cell-based, high-throughput screening assay for ATM kinase inhibitors. 
  • Developments in Molecular Testing and Biosimilars. 
  • Discovery and Optimization of a Porcupine Inhibitor. 
  • Discovery and Preclinical Development of Netarsudil, a Novel Ocular Hypotensive Agent for the Treatment of Glaucoma. 
  • Discovery and characterization of small molecules targeting the DNA-binding ETS domain of ERG in prostate cancer. 
  • Discovery and optimization of novel small-molecule HIV-1 entry inhibitors using field-based virtual screening and bioisosteric replacement. 
  • Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: potent inhibitors of the IGF-1R receptor tyrosine kinase. 
  • Discovery of Key Physicochemical, Structural, and Spatial Properties of RNA-Targeted Bioactive Ligands. 
  • Discovery of LSZ102, a Potent, Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen Receptor Positive Breast Cancer. 
  • Discovery of a Novel Series of Tricyclic Oxadiazine 4a-Methyl Esters Based on Indoxacarb as Potential Sodium Channel Blocker/Modulator Insecticides. 
  • Discovery of a fluorescent probe with HDAC6 selective inhibition. 
  • Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. 
  • Discovery of novel FFA4 (GPR120) receptor agonists with β-arrestin2-biased characteristics. 
  • Discovery of novel cyclophilin A ligands using an H/D exchange- and mass spectrometry-based strategy. 
  • Discovery of novel non-covalent inhibitors selective to the β5-subunit of the human 20S proteasome. 
  • Discovery of potential dual-target prodrugs of HIV-1 reverse transcriptase and nucleocapsid protein 7. 
  • Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. 
  • Discovery of β-Arrestin Biased, Orally Bioavailable, and CNS Penetrant Neurotensin Receptor 1 (NTR1) Allosteric Modulators. 
  • Diversity-oriented synthesis yields novel multistage antimalarial inhibitors. 
  • Driving factors in amiloride recognition of HIV RNA targets. 
  • Drug Development. Are trade secrets delaying biosimilars? 
  • Drug discovery and development for ageing: opportunities and challenges. 
  • Efficacy and safety of next-generation tick transcriptome-derived direct thrombin inhibitors. 
  • Efficient Delivery of Investigational Antibacterial Agents via Sustainable Clinical Trial Networks. 
  • Elucidating structural and molecular mechanisms of β-arrestin-biased agonism at GPCRs via MS-based proteomics. 
  • Emerging subspecialties in neurology: Clinical development. 
  • Engineered skeletal muscles for disease modeling and drug discovery. 
  • Evaluation of ventricular arrhythmias in early clinical pharmacology trials and potential consequences for later development. 
  • Expert consensus document: Mitochondrial function as a therapeutic target in heart failure. 
  • Expression, purification, and identification of associated proteins of the full-length hCDK12/CyclinK complex. 
  • False-positive rate determination of protein target discovery using a covalent modification- and mass spectrometry-based proteomics platform. 
  • First quantitative high-throughput screen in zebrafish identifies novel pathways for increasing pancreatic β-cell mass. 
  • First-Principles Molecular Structure Search with a Genetic Algorithm. 
  • Found in translation: applications of protein and peptide molecular diversity. 
  • Fragment-Based De Novo Design Reveals a Small-Molecule Inhibitor of Helicobacter Pylori HtrA. 
  • Frameworks for targeting RNA with small molecules. 
  • From Composition to Cure: A Systems Engineering Approach to Anticancer Drug Carriers. 
  • G Protein-coupled Receptor Biased Agonism. 
  • Gaining Efficiency in Clinical Trials With Cardiac Biomarkers: JACC Review Topic of the Week. 
  • Genetic variation in IL28B: impact on drug development for chronic hepatitis C infection. 
  • Guidance on the implementation and reporting of a drug safety Bayesian network meta-analysis. 
  • HIV-1 envelope gp41 broadly neutralizing antibodies: hurdles for vaccine development. 
  • HIV-Host Interactions: Implications for Vaccine Design. 
  • Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. 
  • Heterobiaryl human immunodeficiency virus entry inhibitors. 
  • High-performance virtual screening by targeting a high-resolution RNA dynamic ensemble. 
  • High-throughput screening for modulators of cellular contractile force. 
  • History of antibiotics. From salvarsan to cephalosporins. 
  • How informatics can potentiate precompetitive open-source collaboration to jump-start drug discovery and development. 
  • How to Conduct Clinical Trials in Children: A Tutorial. 
  • Identification of Novel Mast Cell Activators Using Cell-Based High-Throughput Screening. 
  • Identifying new small molecule anti-invasive compounds for glioma treatment. 
  • Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus. 
  • Impact of Economic, Regulatory and Patent Policies on Innovation in Cancer Chemoprevention 
  • Implementation of a Market Entry Reward within the United States. 
  • Improving Cancer Drug Discovery by Studying Cancer across the Tree of Life. 
  • In silico Screening and Evaluation of Plasmodium falciparum Protein Kinase 5 (PK5) Inhibitors. 
  • In situ growth of a stoichiometric PEG-like conjugate at a protein's N-terminus with significantly improved pharmacokinetics. 
  • Insights into pediatric rhabdomyosarcoma research: Challenges and goals. 
  • Insights into the development of chemical probes for RNA. 
  • Intra-Target Microdosing - A Novel Drug Development Approach: Proof of Concept, Safety, and Feasibility Study in Humans. 
  • Introduction: Metals in Medicine. 
  • Is bacterial fatty acid synthesis a valid target for antibacterial drug discovery? 
  • Is the HCV pipeline heading in the right direction? 
  • It's about Time: Insights into the Modes of Action of Antimalarials. 
  • Lessons learned in pediatric clinical research to evaluate safe and effective use of drugs in pregnancy. 
  • Linking Genes to Molecules in Eukaryotic Sources: An Endeavor to Expand Our Biosynthetic Repertoire. 
  • Machine Learning Assisted Approach for Finding Novel High Activity Agonists of Human Ectopic Olfactory Receptors. 
  • Mark McClellan. Interview by Asher Mullard. 
  • Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. 
  • Mesenchymal stem cells support growth and organization of host-liver colorectal-tumor organoids and possibly resistance to chemotherapy. 
  • Metabolomic Signatures for Drug Response Phenotypes: Pharmacometabolomics Enables Precision Medicine. 
  • Metastatic castration-resistant prostate cancer reveals intrapatient similarity and interpatient heterogeneity of therapeutic kinase targets. 
  • Models of retinal diseases and their applicability in drug discovery. 
  • Molecular mechanism of β-arrestin-biased agonism at seven-transmembrane receptors. 
  • Molecular pathways: translational and therapeutic implications of the Notch signaling pathway in cancer. 
  • Moving forward in ocular pharmacology. 
  • Nasal Immunization With Small Molecule Mast Cell Activators Enhance Immunity to Co-Administered Subunit Immunogens. 
  • Natural product synthesis at the interface of chemistry and biology. 
  • Navigating the Future of Cardiovascular Drug Development-Leveraging Novel Approaches to Drive Innovation and Drug Discovery: Summary of Findings from the Novel Cardiovascular Therapeutics Conference. 
  • Neomorphic ERα Mutations Drive Progression in Breast Cancer and Present a Challenge for New Drug Discovery. 
  • New facets of antifungal therapy. 
  • Older Adults in Clinical Research and Drug Development: Closing the Geriatric Gap. 
  • Oral Selective Estrogen Receptor Downregulators (SERDs), a Breakthrough Endocrine Therapy for Breast Cancer. 
  • Overview of genetically engineered mouse models of colorectal carcinoma to enable translational biology and drug development. 
  • Perceptibility and the "Choice Experience": User Sensory Perceptions and Experiences Inform Vaginal Prevention Product Design. 
  • Perspectives from man's best friend: National Academy of Medicine's Workshop on Comparative Oncology. 
  • Practical considerations for active machine learning in drug discovery. 
  • Practical outcomes of applying ensemble machine learning classifiers to High-Throughput Screening (HTS) data analysis and screening. 
  • Preface 
  • Priceless GEMMs: genetically engineered mouse models for colorectal cancer drug development. 
  • Priorities for the Priority Review Voucher. 
  • Proceedings of the 2013 CINP summit: innovative partnerships to accelerate CNS drug discovery for improved patient care. 
  • Psychedelic-inspired drug discovery using an engineered biosensor. 
  • Purposeful learning with drug repurposing. 
  • QT as a safety biomarker in drug development. 
  • Quantifying biased agonism: understanding the links between affinity and efficacy. 
  • Quantitative Structure-Activity Relationship (QSAR) Study Predicts Small-Molecule Binding to RNA Structure. 
  • Quantitative Systems Pharmacology for Neuroscience Drug Discovery and Development: Current Status, Opportunities, and Challenges. 
  • Radiographic progression by Prostate Cancer Working Group (PCWG)-2 criteria as an intermediate endpoint for drug development in metastatic castration-resistant prostate cancer. 
  • Realizing the opportunities of genomics in health care. 
  • Resistance diagnosis and the changing economics of antibiotic discovery. 
  • Revealing the macromolecular targets of complex natural products. 
  • Role of natural product diversity in chemical biology. 
  • Scientific factors and current issues in biosimilar studies. 
  • Selection of Informative Examples in Chemogenomic Datasets. 
  • Serial Endoscopic Evaluation of Esophageal Disease in a Cancer Model: A Paradigm Shift for Esophageal Adenocarcinoma (EAC) Drug Discovery and Development. 
  • Significance of lipid composition in a blood-brain barrier-mimetic PAMPA assay. 
  • Spotlight on zebrafish: the next wave of translational research. 
  • Spotting and designing promiscuous ligands for drug discovery. 
  • Studying genetic resilience to improve human health. 
  • Targeting the SUMO pathway for neuroprotection in brain ischaemia. 
  • Telavancin. 
  • The 21st Century Cures Act. 
  • The Aminoalkylindole BML-190 Negatively Regulates Chitosan Synthesis via the Cyclic AMP/Protein Kinase A1 Pathway in Cryptococcus neoformans. 
  • The Landscape of Targeted Immune Responses in the HIV-1 Vaccine Field. 
  • The Valley of Death in anticancer drug development: a reassessment. 
  • The Value of Mouse Models for Glaucoma Drug Discovery. 
  • The antifungal pipeline: a reality check. 
  • The clinical utility index as a practical multiattribute approach to drug development decisions. 
  • The cost of drug development. 
  • The discovery of MK-0674, an orally bioavailable cathepsin K inhibitor. 
  • The future of preclinical animal models in pharmaceutical discovery and development: a need to bring in cerebro to the in vivo discussions. 
  • The molecular mechanisms underlying the pharmacological actions of ER modulators: implications for new drug discovery in breast cancer. 
  • The next opportunity in anti-malaria drug discovery: the liver stage. 
  • Therapeutic Development of Apolipoprotein E Mimetics for Acute Brain Injury: Augmenting Endogenous Responses to Reduce Secondary Injury. 
  • Thermodynamic analysis of protein-ligand binding interactions in complex biological mixtures using the stability of proteins from rates of oxidation. 
  • Treatment of seasonal allergic conjunctivitis with ophthalmic corticosteroids: in search of the perfect ocular corticosteroids in the treatment of allergic conjunctivitis. 
  • Trehalose pathway as an antifungal target. 
  • Two new ursane-type triterpenoid saponins from Elsholtzia bodinieri. 
  • Understanding the characteristics of nonspecific binding of drug-like compounds to canonical stem-loop RNAs and their implications for functional cellular assays. 
  • Vaccinations for pregnant women. 
  • Vaccines in 2017: Closing in on a Zika virus vaccine. 
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  Keywords of People

  • Calakos, Nicole, Lincoln Financial Group Distinguished Professor of Neurobiology, Duke Science & Society
  • McDonnell, Donald Patrick, Glaxo-Wellcome Distinguished Professor of Molecular Cancer Biology, in the School of Medicine, Cell Biology
  • Musah, Samira, Assistant Professor in the Department of Biomedical Engineering, Biomedical Engineering
  • Patz Jr., Edward F., James and Alice Chen Distinguished Professor of Radiology, Pathology
  • Reker, Daniel, Assistant Professor of Biomedical Engineering, Biomedical Engineering