High-Throughput Phenotypic Screening and Machine Learning Methods Enabled the Selection of Broad-Spectrum Low-Toxicity Antitrypanosomatidic Agents
出版年份 2023 全文链接
标题
High-Throughput Phenotypic Screening and Machine Learning Methods Enabled the Selection of Broad-Spectrum Low-Toxicity Antitrypanosomatidic Agents
作者
关键词
-
出版物
JOURNAL OF MEDICINAL CHEMISTRY
Volume -, Issue -, Pages -
出版商
American Chemical Society (ACS)
发表日期
2023-11-03
DOI
10.1021/acs.jmedchem.3c01322
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Employing “Red Flags” to Fight the Most Neglected Diseases: Nitroaromatic as Still Suitable Tools to Treat Human and Veterinary Parasitosis
- (2023) Daniela Gonçales Galasse Rando et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Recent Advances in Chemotherapeutics for Leishmaniasis: Importance of the Cellular Biochemistry of the Parasite and Its Molecular Interaction with the Host
- (2023) Ranjeet Singh et al. Pathogens
- State-of-the-Art in the Drug Discovery Pathway for Chagas Disease: A Framework for Drug Development and Target Validation
- (2023) Juan Carlos Gabaldón-Figueira et al. Research and Reports in Tropical Medicine
- Anti-trypanosomatid drug discovery: progress and challenges
- (2022) Manu De Rycker et al. NATURE REVIEWS MICROBIOLOGY
- Emerging and Re-Emerging Diseases: Novel Challenges in Today’s World or More of the Same?
- (2021) João R. Mesquita Animals
- Machine Learning Models for Mycobacterium tuberculosis In Vitro Activity: Prediction and Target Visualization
- (2021) Thomas R. Lane et al. MOLECULAR PHARMACEUTICS
- Identification of a 2,4-diaminopyrimidine scaffold targeting Trypanosoma brucei pteridine reductase 1 from the LIBRA compound library screening campaign
- (2020) Pasquale Linciano et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Déjà vu: Stimulating open drug discovery for SARS-CoV-2
- (2020) Sean Ekins et al. DRUG DISCOVERY TODAY
- Molecule Property Analyses of Active Compounds for Mycobacterium tuberculosis
- (2020) Vadim Makarov et al. JOURNAL OF MEDICINAL CHEMISTRY
- A Multi-Species Phenotypic Screening Assay for Leishmaniasis Drug Discovery Shows That Active Compounds Display a High Degree of Species-Specificity
- (2020) Laura M. Alcântara et al. MOLECULES
- A high-throughput whole cell screen to identify inhibitors of Mycobacterium tuberculosis
- (2019) Juliane Ollinger et al. PLoS One
- Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery
- (2019) Nicolas Bosc et al. Journal of Cheminformatics
- Multiple Machine Learning Comparisons of HIV Cell-based and Reverse Transcriptase Data Sets
- (2019) Kimberley M. Zorn et al. MOLECULAR PHARMACEUTICS
- Enhancement of benzothiazoles as Pteridine Reductase-1 (PTR1) inhibitors for the treatment of Trypanosomatidic infections.
- (2019) Pasquale Linciano et al. JOURNAL OF MEDICINAL CHEMISTRY
- Accelerating Drug Discovery Efforts for Trypanosomatidic Infections Using an Integrated Transnational Academic Drug Discovery Platform
- (2019) Carolina B. Moraes et al. SLAS Discovery
- Exploiting machine learning for end-to-end drug discovery and development
- (2019) Sean Ekins et al. NATURE MATERIALS
- Structural Insights into the Development of Cycloguanil Derivatives as Trypanosoma brucei Pteridine-Reductase-1 Inhibitors
- (2019) Giacomo Landi et al. ACS Infectious Diseases
- Repurposing Approved Drugs as Inhibitors of Kv7.1 and Nav1.8 to Treat Pitt Hopkins Syndrome
- (2019) Sean Ekins et al. PHARMACEUTICAL RESEARCH
- An Overview of Drug Resistance in Protozoal Diseases
- (2019) Capela et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Aryl thiosemicarbazones for the treatment of trypanosomatidic infections
- (2018) Pasquale Linciano et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery
- (2018) Thomas Lane et al. MOLECULAR PHARMACEUTICS
- Assessment of Substrate Dependent Ligand Interactions at the Organic Cation Transporter OCT2 Using Six Model Substrates
- (2018) Philip J Sandoval et al. MOLECULAR PHARMACOLOGY
- Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction
- (2018) Daniel P. Russo et al. MOLECULAR PHARMACEUTICS
- Nitro-Group-Containing Drugs
- (2018) Kunal Nepali et al. JOURNAL OF MEDICINAL CHEMISTRY
- Halogen Substitution Influences Ketamine Metabolism by Cytochrome P450 2B6: In Vitro and Computational Approaches
- (2018) Pan-Fen Wang et al. MOLECULAR PHARMACEUTICS
- High Throughput and Computational Repurposing for Neglected Diseases
- (2018) Helen W. Hernandez et al. PHARMACEUTICAL RESEARCH
- Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds
- (2017) Chiara Borsari et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Human African trypanosomiasis
- (2017) Philippe Büscher et al. LANCET
- Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets
- (2017) Alexandru Korotcov et al. MOLECULAR PHARMACEUTICS
- Special Issue: Sulfonamides
- (2017) Claudiu Supuran MOLECULES
- Delamanid is not metabolized by Salmonella or human nitroreductases: A possible mechanism for the lack of mutagenicity
- (2017) Erina Hanaki et al. REGULATORY TOXICOLOGY AND PHARMACOLOGY
- Arylmethylamino steroids as antiparasitic agents
- (2017) Reimar Krieg et al. Nature Communications
- The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
- (2017) Egon L. Willighagen et al. Journal of Cheminformatics
- Identification and prioritization of novel anti- Wolbachia chemotypes from screening a 10,000-compound diversity library
- (2017) Kelly L. Johnston et al. Science Advances
- PubChem BioAssay: A Decade’s Development toward Open High-Throughput Screening Data Sharing
- (2017) Yanli Wang et al. SLAS Discovery
- Non-classical transpeptidases yield insight into new antibacterials
- (2016) Pankaj Kumar et al. Nature Chemical Biology
- Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets
- (2015) Alex M. Clark et al. Journal of Chemical Information and Modeling
- Open Source Bayesian Models. 2. Mining a “Big Dataset” To Create and Validate Models with ChEMBL
- (2015) Alex M. Clark et al. Journal of Chemical Information and Modeling
- Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery
- (2015) Sean Ekins et al. PLoS Neglected Tropical Diseases
- 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1
- (2014) João Neres et al. ACS Chemical Biology
- Are Bigger Data Sets Better for Machine Learning? Fusing Single-Point and Dual-Event Dose Response Data for Mycobacterium tuberculosis
- (2014) Sean Ekins et al. Journal of Chemical Information and Modeling
- Effect of Stilbene and Chalcone Scaffolds Incorporation in Clofibric Acid on PPARα . Agonistic Activity
- (2014) Letizia Giampietro et al. Medicinal Chemistry
- Nitroheterocyclic compounds are more efficacious than CYP51 inhibitors against Trypanosoma cruzi: implications for Chagas disease drug discovery and development
- (2014) Carolina B. Moraes et al. Scientific Reports
- Bayesian Models Leveraging Bioactivity and Cytotoxicity Information for Drug Discovery
- (2013) Sean Ekins et al. CHEMISTRY & BIOLOGY
- Fusing Dual-Event Data Sets for Mycobacterium tuberculosis Machine Learning Models and Their Evaluation
- (2013) Sean Ekins et al. Journal of Chemical Information and Modeling
- Enhancing Hit Identification in Mycobacterium tuberculosis Drug Discovery Using Validated Dual-Event Bayesian Models
- (2013) Sean Ekins et al. PLoS One
- Drug resistance in African trypanosomiasis: the melarsoprol and pentamidine story
- (2013) Nicola Baker et al. TRENDS IN PARASITOLOGY
- Aquaglyceroporin 2 controls susceptibility to melarsoprol and pentamidine in African trypanosomes
- (2012) N. Baker et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Application of a resazurin-based high-throughput screening assay for the identification and progression of new treatments for human African trypanosomiasis
- (2012) Tana Bowling et al. International Journal for Parasitology-Drugs and Drug Resistance
- Application of Cytochrome P450 Drug Interaction Screening in Drug Discovery
- (2010) Robert Foti et al. COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
- Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis
- (2010) Sean Ekins et al. Molecular BioSystems
- Antileishmanial High-Throughput Drug Screening Reveals Drug Candidates with New Scaffolds
- (2010) Jair L. Siqueira-Neto et al. PLoS Neglected Tropical Diseases
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now