Mechanistic Insights into Biological Activities of Polyphenolic Compounds from Rosemary Obtained by Inverse Molecular Docking
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Title
Mechanistic Insights into Biological Activities of Polyphenolic Compounds from Rosemary Obtained by Inverse Molecular Docking
Authors
Keywords
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Journal
Foods
Volume 11, Issue 1, Pages 67
Publisher
MDPI AG
Online
2021-12-29
DOI
10.3390/foods11010067
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Note: Only part of the references are listed.- Rosemary (Rosmarinus officinalis L.): extraction techniques, analytical methods and health-promoting biological effects
- (2021) Samo Lešnik et al. PHYTOCHEMISTRY REVIEWS
- Mechanistic Insights into Side Effects of Troglitazone and Rosiglitazone Using a Novel Inverse Molecular Docking Protocol
- (2021) Katarina Kores et al. Pharmaceutics
- Insight into Inhibitory Mechanism of PDE4D by Dietary Polyphenols Using Molecular Dynamics Simulations and Free Energy Calculations
- (2021) Veronika Furlan et al. Biomolecules
- ProBiS-Dock Database: A Web Server and Interactive Web Repository of Small Ligand–Protein Binding Sites for Drug Design
- (2021) Janez Konc et al. Journal of Chemical Information and Modeling
- Repurposing of Drugs for SARS-CoV-2 Using Inverse Docking Fingerprints
- (2021) Marko Jukič et al. Frontiers in Chemistry
- CANDOCK: Chemical Atomic Network-Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials
- (2020) Jonathan Fine et al. Journal of Chemical Information and Modeling
- Molecular target validation of Aspartate Transcarbamoylase from Plasmodium falciparum by Torin 2
- (2020) Soraya Bosch et al. ACS Infectious Diseases
- Discovery of new potential CDK2/VEGFR2 type II inhibitors by fragmentation and virtual screening of natural products
- (2020) Andrés Felipe Vásquez et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer
- (2020) Jay B. Fell et al. JOURNAL OF MEDICINAL CHEMISTRY
- In Silico ADME/Tox Profiling of Natural Products: A Focus on BIOFACQUIM
- (2020) Noemi Angeles Durán-Iturbide et al. ACS Omega
- Discovery of Novel Potential Human Targets of Resveratrol by Inverse Molecular Docking
- (2019) Katarina Kores et al. Journal of Chemical Information and Modeling
- Cardiovascular events and death after myocardial infarction or ischemic stroke in an older Medicare population
- (2019) Suying Li et al. CLINICAL CARDIOLOGY
- Farnesyl Pyrophosphate Synthase as a Target for Drug Development: Discovery of Natural-Product-Derived Inhibitors and Their Activity in Pancreatic Cancer Cells
- (2019) Shuai Han et al. JOURNAL OF MEDICINAL CHEMISTRY
- Molecular dynamics guided insight, binding free energy calculations and pharmacophore-based virtual screening for the identification of potential VEGFR2 inhibitors
- (2019) Ekta Rathi et al. JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION
- Proteomics analysis demonstrating rosmarinic acid suppresses cell growth by blocking the glycolytic pathway in human HepG2 cells
- (2018) Zhan-Jun Ma et al. BIOMEDICINE & PHARMACOTHERAPY
- Phytochemicals, withaferin A and carnosol, overcome pancreatic cancer stem cells as c-Met inhibitors
- (2018) Shima Aliebrahimi et al. BIOMEDICINE & PHARMACOTHERAPY
- Rosmarinic acid influences collagen, MMPs, TIMPs, glycosylation and MUC1 in CRL-1739 gastric cancer cell line
- (2018) I. Radziejewska et al. BIOMEDICINE & PHARMACOTHERAPY
- The Role of PPAR-δ in Metabolism, Inflammation, and Cancer: Many Characters of a Critical Transcription Factor
- (2018) Yi Liu et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Inverse Molecular Docking as a Novel Approach to Study Anticarcinogenic and Anti-Neuroinflammatory Effects of Curcumin
- (2018) Veronika Furlan et al. MOLECULES
- Structural basis for specific ligation of the peroxisome proliferator-activated receptor δ
- (2017) Chyuan-Chuan Wu et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Pharmacokinetics of rosmarinic acid in rats by LC-MS/MS: absolute bioavailability and dose proportionality
- (2017) Jingxian Wang et al. RSC Advances
- SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
- (2017) Antoine Daina et al. Scientific Reports
- Design and evaluation of novel glutaminase inhibitors
- (2016) Lee A. McDermott et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Hiv-2 molecular epidemiology
- (2016) Benoit Visseaux et al. INFECTION GENETICS AND EVOLUTION
- Screening Explorer–An Interactive Tool for the Analysis of Screening Results
- (2016) Charly Empereur-Mot et al. Journal of Chemical Information and Modeling
- Structural basis of influenza virus fusion inhibition by the antiviral drug Arbidol
- (2016) Rameshwar U. Kadam et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Glycogen phosphorylase inhibitors in the regulation of carbohydrate metabolism in type 2 diabetes
- (2016) A. A. Spasov et al. RUSSIAN JOURNAL OF BIOORGANIC CHEMISTRY
- Discovery and Optimization of Two Eis Inhibitor Families as Kanamycin Adjuvants against Drug-Resistant M. tuberculosis
- (2016) Atefeh Garzan et al. ACS Medicinal Chemistry Letters
- Synthetic and Natural Inhibitors of Phospholipases A2: Their Importance for Understanding and Treatment of Neurological Disorders
- (2015) Wei-Yi Ong et al. ACS Chemical Neuroscience
- Glutamate Dehydrogenase 1 Signals through Antioxidant Glutathione Peroxidase 1 to Regulate Redox Homeostasis and Tumor Growth
- (2015) Lingtao Jin et al. CANCER CELL
- ProBiS-CHARMMing: Web Interface for Prediction and Optimization of Ligands in Protein Binding Sites
- (2015) Janez Konc et al. Journal of Chemical Information and Modeling
- ZINC 15 – Ligand Discovery for Everyone
- (2015) Teague Sterling et al. Journal of Chemical Information and Modeling
- The Dietary Components Carnosic Acid and Carnosol as Neuroprotective Agents: a Mechanistic View
- (2015) Marcos Roberto de Oliveira MOLECULAR NEUROBIOLOGY
- Colibactin: understanding an elusive gut bacterial genotoxin
- (2015) Emily P. Balskus NATURAL PRODUCT REPORTS
- Predictiveness curves in virtual screening
- (2015) Charly Empereur-mot et al. Journal of Cheminformatics
- Risk Factors of Stroke in Western and Asian Countries: A Systematic Review and Meta-analysis of Prospective Cohort Studies
- (2014) Xuetao Chen et al. BMC PUBLIC HEALTH
- Carnosic acid induces apoptosis associated with mitochondrial dysfunction and Akt inactivation in HepG2 cells
- (2014) Qisen Xiang et al. INTERNATIONAL JOURNAL OF FOOD SCIENCES AND NUTRITION
- Anin vitroevaluation of the antibacterial activity of the non-volatile phenolic fraction from rosemary leaves
- (2014) C. Sacco et al. NATURAL PRODUCT RESEARCH
- Natural extracts into chitosan nanocarriers for rosmarinic acid drug delivery
- (2014) Sara Baptista da Silva et al. PHARMACEUTICAL BIOLOGY
- Expression of MicroRNA-15b and the Glycosyltransferase GCNT3 Correlates with Antitumor Efficacy of Rosemary Diterpenes in Colon and Pancreatic Cancer
- (2014) Margarita González-Vallinas et al. PLoS One
- Chemical and Structural Insights into the Regioversatility of the Aminoglycoside Acetyltransferase Eis
- (2013) Jacob L. Houghton et al. CHEMBIOCHEM
- Traditional and New Influenza Vaccines
- (2013) S.-S. Wong et al. CLINICAL MICROBIOLOGY REVIEWS
- Redox Behaviour of Verbascoside and Rosmarinic Acid
- (2013) Eric de Souza Gil et al. COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
- Bioavailability of the major bioactive diterpenoids in a rosemary extract: Metabolic profile in the intestine, liver, plasma, and brain of Zucker rats
- (2013) María Romo Vaquero et al. MOLECULAR NUTRITION & FOOD RESEARCH
- In vivoanalgesic and anti-inflammatory activities ofRosmarinus officinalisaqueous extracts, rosmarinic acid and its acetyl ester derivative
- (2013) Rodrigo Lucarini et al. PHARMACEUTICAL BIOLOGY
- Deciphering the molecular mechanisms of anti-tubulin plant derived drugs
- (2013) P. Barbier et al. PHYTOCHEMISTRY REVIEWS
- Rosmarinic acid: new aspects
- (2013) Maike Petersen PHYTOCHEMISTRY REVIEWS
- The Protective Role of Carnosic Acid against Beta-Amyloid Toxicity in Rats
- (2013) H. Rasoolijazi et al. TheScientificWorldJOURNAL
- Antiviral activity of carnosic acid against respiratory syncytial virus
- (2013) Han-Bo Shin et al. Virology Journal
- Carnosic acid modulates Akt/IKK/NF-κB signaling by PP2A and induces intrinsic and extrinsic pathway mediated apoptosis in human prostate carcinoma PC-3 cells
- (2012) Susanta Kar et al. APOPTOSIS
- Rosmarinus officinalis polyphenols produce anti-depressant like effect through monoaminergic and cholinergic functions modulation
- (2012) Kazunori Sasaki et al. BEHAVIOURAL BRAIN RESEARCH
- Suppression of LPS-induced inflammatory activities by Rosmarinus officinalis L.
- (2012) Mi-Hee Yu et al. FOOD CHEMISTRY
- Antidepressant-like effects of fractions, essential oil, carnosol and betulinic acid isolated from Rosmarinus officinalis L.
- (2012) Daniele G. Machado et al. FOOD CHEMISTRY
- Effect of rosemary polyphenols on human colon cancer cells: transcriptomic profiling and functional enrichment analysis
- (2012) Alberto Valdés et al. Genes and Nutrition
- Carnosic acid inhibits the proliferation and migration capacity of human colorectal cancer cells
- (2012) M.V. BARNI et al. ONCOLOGY REPORTS
- Antiproliferation effect of Rosemary (Rosmarinus officinalis) on human ovarian cancer cells in vitro
- (2012) Joseph Tai et al. PHYTOMEDICINE
- Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism
- (2012) K. Thangavelu et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Full-Length Human Glutaminase in Complex with an Allosteric Inhibitor
- (2011) Byron DeLaBarre et al. BIOCHEMISTRY
- The natural antioxidant rosmarinic acid spontaneously penetrates membranes to inhibit lipid peroxidation in situ
- (2011) Ophélie Fadel et al. BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
- Carnosol: A promising anti-cancer and anti-inflammatory agent
- (2011) Jeremy J. Johnson CANCER LETTERS
- Anti-angiogenic properties of carnosol and carnosic acid, two major dietary compounds from rosemary
- (2011) Auxiliadora López-Jiménez et al. EUROPEAN JOURNAL OF NUTRITION
- Green Tea Polyphenols Control Dysregulated Glutamate Dehydrogenase in Transgenic Mice by Hijacking the ADP Activation Site
- (2011) Changhong Li et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- The Determinants That Govern Microtubule Assembly from the Atomic Structure of GTP-Tubulin
- (2011) Agata Nawrotek et al. JOURNAL OF MOLECULAR BIOLOGY
- Aspartate carbamoyltransferase of Plasmodium falciparum as a potential drug target for designing anti-malarial chemotherapeutic agents
- (2011) Amit Kumar Banerjee et al. MEDICINAL CHEMISTRY RESEARCH
- ChEMBL: a large-scale bioactivity database for drug discovery
- (2011) A. Gaulton et al. NUCLEIC ACIDS RESEARCH
- Structural and Functional Studies of a Bothropic Myotoxin Complexed to Rosmarinic Acid: New Insights into Lys49-PLA2 Inhibition
- (2011) Juliana I. dos Santos et al. PLoS One
- Rivaroxaban: A New Oral Factor Xa Inhibitor
- (2010) Elisabeth Perzborn et al. ARTERIOSCLEROSIS THROMBOSIS AND VASCULAR BIOLOGY
- The binding of β-d-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: A new class of inhibitors
- (2010) Kyra-Melinda Alexacou et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Lipoprotein-Associated and Secreted Phospholipases A 2 in Cardiovascular Disease
- (2010) Ziad Mallat et al. CIRCULATION
- The nuclear receptor PPARγ individually responds to serotonin- and fatty acid-metabolites
- (2010) Tsuyoshi Waku et al. EMBO JOURNAL
- Rosmanol potently induces apoptosis through both the mitochondrial apoptotic pathway and death receptor pathway in human colon adenocarcinoma COLO 205 cells
- (2010) An-Chin Cheng et al. FOOD AND CHEMICAL TOXICOLOGY
- Flavonoids and Phenolic Compounds from Rosmarinus officinalis
- (2010) Naisheng Bai et al. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
- Inhibitory Effects of Rosemary Extracts, Carnosic Acid and Rosmarinic Acid on the Growth of Various Human Cancer Cell Lines
- (2010) Ozlem Yesil-Celiktas et al. PLANT FOODS FOR HUMAN NUTRITION
- Identification of small molecule inhibitors of pyruvate kinase M2
- (2009) Matthew G. Vander Heiden et al. BIOCHEMICAL PHARMACOLOGY
- Relationship between the Antioxidant Capacity and Effect of Rosemary (Rosmarinus officinalis L.) Polyphenols on Membrane Phospholipid Order
- (2009) Laura Pérez-Fons et al. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
- Novel Inhibitors Complexed with Glutamate Dehydrogenase
- (2009) Ming Li et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- An overview of small-molecule inhibitors of VEGFR signaling
- (2009) S. Percy Ivy et al. Nature Reviews Clinical Oncology
- Type-II Kinase Inhibitor Docking, Screening, and Profiling Using Modified Structures of Active Kinase States
- (2008) Irina Kufareva et al. JOURNAL OF MEDICINAL CHEMISTRY
- In vivo assessment of antidiabetic and antioxidant activities of rosemary (Rosmarinus officinalis) in alloxan-diabetic rabbits
- (2007) Tülay Bakırel et al. JOURNAL OF ETHNOPHARMACOLOGY
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