In silico design of diacylglycerol acyltransferase-1 (DGAT1) inhibitors based on SMILES descriptors using Monte-Carlo method
出版年份 2019 全文链接
标题
In silico design of diacylglycerol acyltransferase-1 (DGAT1) inhibitors based on SMILES descriptors using Monte-Carlo method
作者
关键词
-
出版物
SAR AND QSAR IN ENVIRONMENTAL RESEARCH
Volume -, Issue -, Pages 1-17
出版商
Informa UK Limited
发表日期
2019-07-23
DOI
10.1080/1062936x.2019.1629998
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- (2019) Manisha et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- Does the Index of Ideality of Correlation Detect the Better Model Correctly?
- (2019) Alla P. Toropova et al. Molecular Informatics
- Discovery of dimethyl pent-4-ynoic acid derivatives, as potent and orally bioavailable DGAT1 inhibitors that suppress body weight in diet-induced mouse obesity model
- (2018) Tao Yu et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Quasi-SMILES-Based Nano-Quantitative Structure–Activity Relationship Model to Predict the Cytotoxicity of Multiwalled Carbon Nanotubes to Human Lung Cells
- (2018) Tung Xuan Trinh et al. CHEMICAL RESEARCH IN TOXICOLOGY
- LQTA-R: A new 3D-QSAR methodology applied to a set of DGAT1 inhibitors
- (2018) Rajesh B. Patil et al. COMPUTATIONAL BIOLOGY AND CHEMISTRY
- The application of new HARD-descriptor available from the CORAL software to building up NOAEL models
- (2018) Alla P. Toropova et al. FOOD AND CHEMICAL TOXICOLOGY
- Use of Simplified Molecular Input Line Entry System and molecular graph based descriptors in prediction and design of pancreatic lipase inhibitors
- (2018) Ashwani Kumar et al. Future Medicinal Chemistry
- CORAL: Monte Carlo Method to Predict Endpoints for Medical Chemistry
- (2018) Alla P. Toropova et al. MINI-REVIEWS IN MEDICINAL CHEMISTRY
- SWISS-MODEL: homology modelling of protein structures and complexes
- (2018) Andrew Waterhouse et al. NUCLEIC ACIDS RESEARCH
- Semi-correlations combined with the index of ideality of correlation: a tool to build up model of mutagenic potential
- (2018) Alla P. Toropova et al. MOLECULAR AND CELLULAR BIOCHEMISTRY
- The index of ideality of correlation: improvement of models for toxicity to algae
- (2018) Alla P. Toropova et al. NATURAL PRODUCT RESEARCH
- Discovery of an Orally Bioavailable Benzimidazole Diacylglycerol Acyltransferase 1 (DGAT1) Inhibitor That Suppresses Body Weight Gain in Diet-Induced Obese Dogs and Postprandial Triglycerides in Humans
- (2017) Katsumasa Nakajima et al. JOURNAL OF MEDICINAL CHEMISTRY
- Synthesis of some benzothiazoles by developing a new protocol using urea nitrate as a catalyst and their antimicrobial activities
- (2017) Parvin Kumar et al. Journal of Sulfur Chemistry
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- (2017) Alla P. Toropova et al. JOURNAL OF THEORETICAL BIOLOGY
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- (2017) Baptiste Canault et al. Molecular Informatics
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- (2017) J. C. Dearden et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- Exploring the structural requirements in multiple chemical scaffolds for the selective inhibition of Plasmodium falciparum calcium-dependent protein kinase-1 (PfCDPK-1) by 3D-pharmacophore modelling, and docking studies
- (2017) R. B. Aher et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
- The index of ideality of correlation: A criterion of predictability of QSAR models for skin permeability?
- (2017) Alla P. Toropova et al. SCIENCE OF THE TOTAL ENVIRONMENT
- Synthesis of novel inhibitors of α-amylase based on the thiazolidine-4-one skeleton containing a pyrazole moiety and their configurational studies
- (2017) Parvin Kumar et al. MedChemComm
- Modeling protein quaternary structure of homo- and hetero-oligomers beyond binary interactions by homology
- (2017) Martino Bertoni et al. Scientific Reports
- Discovery of diamide compounds as diacylglycerol acyltransferase 1 (DGAT1) inhibitors
- (2016) Katsumasa Nakajima et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Pradigastat. Diacylglycerol O-acyltransferase 1 (DGAT1) inhibitor, Treatment of lipoprotein disorders
- (2016) J. Gras DRUGS OF THE FUTURE
- Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis
- (2016) Pavel Polishchuk et al. Journal of Chemical Information and Modeling
- A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology
- (2016) Paola Gramatica et al. Journal of Chemical Information and Modeling
- Fragment Prioritization on a Large Mutagenicity Dataset
- (2016) Matteo Floris et al. Molecular Informatics
- The SWISS-MODEL Repository—new features and functionality
- (2016) Stefan Bienert et al. NUCLEIC ACIDS RESEARCH
- Pharmacophore generation, atom-based 3D-QSAR, HQSAR and activity cliff analyses of benzothiazine and deazaxanthine derivatives as dual A2Aantagonists/MAO‑B inhibitors
- (2016) S. S. Bhayye et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
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- (2016) E. Benfenati et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
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- (2015) Kunal Roy et al. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
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- (2015) J. Devillers et al. SAR AND QSAR IN ENVIRONMENTAL RESEARCH
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- (2014) Gang Zhou et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
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- (2014) Shuwen He et al. ACS Medicinal Chemistry Letters
- Some case studies on application of “rm2” metrics for judging quality of quantitative structure-activity relationship predictions: Emphasis on scaling of response data
- (2013) Kunal Roy et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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- (2010) Pascal Benkert et al. BIOINFORMATICS
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- (2010) Parvin Kumar et al. BULLETIN OF THE KOREAN CHEMICAL SOCIETY
- Automated comparative protein structure modeling with SWISS-MODEL and Swiss-PdbViewer: A historical perspective
- (2010) Nicolas Guex et al. ELECTROPHORESIS
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- (2010) Ashwani Kumar et al. MEDICINAL CHEMISTRY RESEARCH
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- (2009) Oleg Trott et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
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- (2009) Partha Pratim Roy et al. MOLECULES
- External Validation and Prediction Employing the Predictive Squared Correlation Coefficient Test Set Activity Mean vs Training Set Activity Mean
- (2008) Gerrit Schüürmann et al. Journal of Chemical Information and Modeling
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