Informatics and Computational Methods in Natural Product Drug Discovery: A Review and Perspectives
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Title
Informatics and Computational Methods in Natural Product Drug Discovery: A Review and Perspectives
Authors
Keywords
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Journal
Frontiers in Genetics
Volume 10, Issue -, Pages -
Publisher
Frontiers Media SA
Online
2019-04-30
DOI
10.3389/fgene.2019.00368
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Note: Only part of the references are listed.- Structural prediction of antibody-APRIL complexes by computational docking constrained by antigen saturation mutagenesis library data
- (2019) Andrew M. Wollacott et al. JOURNAL OF MOLECULAR RECOGNITION
- 3D-QSAR and in-silico Studies of Natural Products and Related Derivatives as Monoamine Oxidase Inhibitors
- (2018) Priyanka Dhiman et al. Current Neuropharmacology
- Simulations meet machine learning in structural biology
- (2018) Adrià Pérez et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Natural Products for Drug Discovery in the 21st Century: Innovations for Novel Drug Discovery
- (2018) Nicholas Thomford et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Contribution of NIH funding to new drug approvals 2010–2016
- (2018) Ekaterina Galkina Cleary et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Na V 1.7 as a Pharmacogenomic Target for Pain: Moving Toward Precision Medicine
- (2018) Yang Yang et al. TRENDS IN PHARMACOLOGICAL SCIENCES
- Overview of Antibody Drug Delivery
- (2018) Sahar Awwad et al. Pharmaceutics
- Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview
- (2018) Veronica Salmaso et al. Frontiers in Pharmacology
- Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2H-Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure–Activity Relationships Predictive Models
- (2017) Milan Mladenović et al. Journal of Chemical Information and Modeling
- Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets
- (2017) Alexandru Korotcov et al. MOLECULAR PHARMACEUTICS
- NPASS: natural product activity and species source database for natural product research, discovery and tool development
- (2017) Xian Zeng et al. NUCLEIC ACIDS RESEARCH
- DrugBank 5.0: a major update to the DrugBank database for 2018
- (2017) David S Wishart et al. NUCLEIC ACIDS RESEARCH
- Medical Subject Heading (MeSH) annotations illuminate maize genetics and evolution
- (2017) Timothy M. Beissinger et al. Plant Methods
- Comparative transcriptomics as a guide to natural product discovery and biosynthetic gene cluster functionality
- (2017) Gregory C. A. Amos et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Translational Rodent Models for Research on Parasitic Protozoa—A Review of Confounders and Possibilities
- (2017) Totta Ehret et al. Frontiers in Cellular and Infection Microbiology
- The gene expression profiles in response to 102 traditional Chinese medicine (TCM) components: a general template for research on TCMs
- (2017) Chao Lv et al. Scientific Reports
- Antibiotic Spider Silk: Site-Specific Functionalization of Recombinant Spider Silk Using “Click” Chemistry
- (2016) David Harvey et al. ADVANCED MATERIALS
- Integrin-Targeting Knottin Peptide-Drug Conjugates Are Potent Inhibitors of Tumor Cell Proliferation
- (2016) Nick Cox et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Predicting G protein-coupled receptor downstream signaling by tissue expression
- (2016) Yun Hao et al. BIOINFORMATICS
- Sex Differences in Defensive Behavior and Venom of The Striped Bark ScorpionCentruroides vittatus(Scorpiones: Buthidae)
- (2016) D. W. Miller et al. INTEGRATIVE AND COMPARATIVE BIOLOGY
- Natural product discovery: past, present, and future
- (2016) Leonard Katz et al. JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY
- Natural Products as Sources of New Drugs from 1981 to 2014
- (2016) David J. Newman et al. JOURNAL OF NATURAL PRODUCTS
- The coming of age of de novo protein design
- (2016) Po-Ssu Huang et al. NATURE
- The antibody aducanumab reduces Aβ plaques in Alzheimer’s disease
- (2016) Jeff Sevigny et al. NATURE
- Counting on natural products for drug design
- (2016) Tiago Rodrigues et al. Nature Chemistry
- A minimized human insulin-receptor-binding motif revealed in a Conus geographus venom insulin
- (2016) John G Menting et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
- The ChEMBL database in 2017
- (2016) Anna Gaulton et al. NUCLEIC ACIDS RESEARCH
- KEGG: new perspectives on genomes, pathways, diseases and drugs
- (2016) Minoru Kanehisa et al. NUCLEIC ACIDS RESEARCH
- A minimized human insulin-receptor-binding motif revealed in a Conus geographus venom insulin
- (2016) John G Menting et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
- New strategy for drug discovery by large-scale association analysis of molecular networks of different species
- (2016) Bo Zhang et al. Scientific Reports
- A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL
- (2016) Prudence Mutowo et al. Journal of Biomedical Semantics
- The digital revolution in phenotyping
- (2015) Anika Oellrich et al. BRIEFINGS IN BIOINFORMATICS
- Review of natural product databases
- (2015) Tao Xie et al. CELL PROLIFERATION
- Machine-learning approaches in drug discovery: methods and applications
- (2015) Antonio Lavecchia DRUG DISCOVERY TODAY
- Adapting simultaneous analysis phylogenomic techniques to study complex disease gene relationships
- (2015) Joseph D. Romano et al. JOURNAL OF BIOMEDICAL INFORMATICS
- Discovering New Acetylcholinesterase Inhibitors by Mining the Buzhongyiqi Decoction Recipe Data
- (2015) Lu Cui et al. Journal of Chemical Information and Modeling
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- (2015) Jeffrey D. Rudolf et al. JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY
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- (2015) Jerry Avorn NEW ENGLAND JOURNAL OF MEDICINE
- The Reactome pathway Knowledgebase
- (2015) Antonio Fabregat et al. NUCLEIC ACIDS RESEARCH
- VenomKB, a new knowledge base for facilitating the validation of putative venom therapies
- (2015) Joseph D. Romano et al. Scientific Data
- TMDB: A literature-curated database for small molecular compounds found from tea
- (2014) Yi Yue et al. BMC PLANT BIOLOGY
- UPLC-MS/MS determination of ephedrine, methylephedrine, amygdalin and glycyrrhizic acid in Beagle plasma and its application to a pharmacokinetic study after oral administration of Ma Huang Tang
- (2014) Tianhua Yan et al. Drug Testing and Analysis
- Intraspecific venom variation in the medically significant Southern Pacific Rattlesnake (Crotalus oreganus helleri): Biodiscovery, clinical and evolutionary implications
- (2014) Kartik Sunagar et al. Journal of Proteomics
- Functional Variability of Snake Venom Metalloproteinases: Adaptive Advantages in Targeting Different Prey and Implications for Human Envenomation
- (2014) Juliana L. Bernardoni et al. PLoS One
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- (2014) Jinlong Ru et al. Journal of Cheminformatics
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- (2014) Kuen-Haur Lee et al. Scientific Reports
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- (2014) Juan Calvete et al. Toxins
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- (2013) Scott J. Lusher et al. DRUG DISCOVERY TODAY
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- (2013) Haythum O Tayeb et al. EXPERT OPINION ON BIOLOGICAL THERAPY
- QSAR Modeling: Where Have You Been? Where Are You Going To?
- (2013) Artem Cherkasov et al. JOURNAL OF MEDICINAL CHEMISTRY
- Drugs derived from phage display
- (2013) Andrew E Nixon et al. mAbs
- Predicting function from sequence in a large multifunctional toxin family
- (2013) Anita Malhotra et al. TOXICON
- Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review
- (2012) Tiejun Cheng et al. AAPS Journal
- Can phylogeny predict chemical diversity and potential medicinal activity of plants? A case study of amaryllidaceae
- (2012) Nina Rønsted et al. BMC EVOLUTIONARY BIOLOGY
- Translational Bioinformatics: Data-driven Drug Discovery and Development
- (2012) A J Butte et al. CLINICAL PHARMACOLOGY & THERAPEUTICS
- Homology modeling a fast tool for drug discovery: Current perspectives
- (2012) VK Vyas et al. INDIAN JOURNAL OF PHARMACEUTICAL SCIENCES
- A graph-based recovery and decomposition of Swanson’s hypothesis using semantic predications
- (2012) Delroy Cameron et al. JOURNAL OF BIOMEDICAL INFORMATICS
- Effect of the smell of Seirogan, a wood creosote, on dermal and intestinal mucosal immunity and allergic inflammation
- (2012) Keiichi Hiramoto et al. JOURNAL OF CLINICAL BIOCHEMISTRY AND NUTRITION
- Methods and dimensions of electronic health record data quality assessment: enabling reuse for clinical research
- (2012) N. G. Weiskopf et al. JOURNAL OF THE AMERICAN MEDICAL INFORMATICS ASSOCIATION
- Using Electronic Health Care Records for Drug Safety Signal Detection
- (2012) Martijn J. Schuemie et al. MEDICAL CARE
- Data-Driven Prediction of Drug Effects and Interactions
- (2012) N. P. Tatonetti et al. Science Translational Medicine
- The UniProtKB/Swiss-Prot Tox-Prot program: A central hub of integrated venom protein data
- (2012) Florence Jungo et al. TOXICON
- Complex cocktails: the evolutionary novelty of venoms
- (2012) Nicholas R. Casewell et al. TRENDS IN ECOLOGY & EVOLUTION
- Toward defining the preclinical stages of Alzheimer’s disease: Recommendations from the National Institute on Aging-Alzheimer's Association workgroups on diagnostic guidelines for Alzheimer's disease
- (2011) Reisa A. Sperling et al. Alzheimers & Dementia
- The eMERGE Network: A consortium of biorepositories linked to electronic medical records data for conducting genomic studies
- (2011) Catherine A McCarty et al. BMC Medical Genomics
- coral Software: QSAR for Anticancer Agents
- (2011) Emilio Benfenati et al. Chemical Biology & Drug Design
- The Emerging Role of Electronic Medical Records in Pharmacogenomics
- (2011) R A Wilke et al. CLINICAL PHARMACOLOGY & THERAPEUTICS
- Electronic health records: Implications for drug discovery
- (2011) Lixia Yao et al. DRUG DISCOVERY TODAY
- Comparison of automated and human assignment of MeSH terms on publicly-available molecular datasets
- (2011) David Ruau et al. JOURNAL OF BIOMEDICAL INFORMATICS
- ConoServer: updated content, knowledge, and discovery tools in the conopeptide database
- (2011) Q. Kaas et al. NUCLEIC ACIDS RESEARCH
- Computational Repositioning of the Anticonvulsant Topiramate for Inflammatory Bowel Disease
- (2011) J. T. Dudley et al. Science Translational Medicine
- Discovery and Preclinical Validation of Drug Indications Using Compendia of Public Gene Expression Data
- (2011) M. Sirota et al. Science Translational Medicine
- Molecular docking for virtual screening of natural product databases
- (2011) Dik-Lung Ma et al. Chemical Science
- Monoclonal antibody TGN1412 trial failure explained by species differences in CD28 expression on CD4+ effector memory T-cells
- (2010) D Eastwood et al. BRITISH JOURNAL OF PHARMACOLOGY
- Principles of early drug discovery
- (2010) JP Hughes et al. BRITISH JOURNAL OF PHARMACOLOGY
- Privileged scaffolds for library design and drug discovery
- (2010) Matthew E Welsch et al. CURRENT OPINION IN CHEMICAL BIOLOGY
- Ontologies of Drug Discovery and Design for Neurology, Cardiology and Oncology
- (2010) Jose M. Vazquez-Naya et al. CURRENT PHARMACEUTICAL DESIGN
- PubChem as a public resource for drug discovery
- (2010) Qingliang Li et al. DRUG DISCOVERY TODAY
- Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields
- (2010) Paolo Tosco et al. JOURNAL OF MOLECULAR MODELING
- Recombinant Spider Silk Proteins for Applications in Biomaterials
- (2010) Kristina Spiess et al. MACROMOLECULAR BIOSCIENCE
- Biobanking and pharmacogenomics
- (2010) Catherine A McCarty et al. PHARMACOGENOMICS
- Cholinesterase inhibitory activities of some flavonoid derivatives and chosen xanthone and their molecular docking studies
- (2009) Mahmud Tareq Hassan Khan et al. CHEMICO-BIOLOGICAL INTERACTIONS
- Receptor Dependent Multidimensional QSAR for Modeling Drug - Receptor Interactions
- (2009) Jaroslaw Polanski CURRENT MEDICINAL CHEMISTRY
- Molecular Docking Studies and Anti−Snake Venom Metalloproteinase Activity of Thai Mango Seed Kernel Extract
- (2009) Pimolpan Pithayanukul et al. MOLECULES
- Lessons from 60 years of pharmaceutical innovation
- (2009) Bernard Munos NATURE REVIEWS DRUG DISCOVERY
- Mapping complex disease traits with global gene expression
- (2009) William Cookson et al. NATURE REVIEWS GENETICS
- Discovery of agents that eradicate leukemia stem cells using an in silico screen of public gene expression data
- (2008) D. C. Hassane et al. BLOOD
- The FEATURE framework for protein function annotation: modeling new functions, improving performance, and extending to novel applications
- (2008) Inbal Halperin et al. BMC GENOMICS
- Natural products in drug discovery
- (2008) A HARVEY DRUG DISCOVERY TODAY
- The paradox of model organisms. The use of model organisms in research will continue despite their shortcomings
- (2008) Philip Hunter EMBO REPORTS
- Using gene expression to investigate the genetic basis of complex disorders
- (2008) A. C. Nica et al. HUMAN MOLECULAR GENETICS
- Ultra-performance LC/TOF MS analysis of medicinalPanaxherbs for metabolomic research
- (2008) Guoxiang Xie et al. JOURNAL OF SEPARATION SCIENCE
- Jadomycin B, an Aurora-B kinase inhibitor discovered through virtual screening
- (2008) D.-H. Fu et al. MOLECULAR CANCER THERAPEUTICS
- Toward high-resolution homology modeling of antibody Fvregions and application to antibody-antigen docking
- (2008) Arvind Sivasubramanian et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Drugs, Industry, and Academia
- (2008) G. A. FitzGerald SCIENCE
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