Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNet™ library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity

Ellagic Acid and Schisandrins: Natural Biaryl Polyphenols with Therapeutic Potential to Overcome Multidrug Resistance in Cancer

(2021) Sabesan Yoganathan et al.   Cells

Structure-activity relationship and mechanism of flavonoids on the inhibitory activity of P-glycoprotein (P-gp)-mediated transport of rhodamine123 and daunorubicin in P-gp overexpressed human mouth epidermal carcinoma (KB/MDR) cells

(2021) Yajing Fang et al.   FOOD AND CHEMICAL TOXICOLOGY

Glabratephrin reverses doxorubicin resistance in triple negative breast cancer by inhibiting P-glycoprotein

(2021) Gamal Eldein Fathy Abd-ellatef et al.   PHARMACOLOGICAL RESEARCH

A curated diverse molecular database of blood-brain barrier permeability with chemical descriptors

(2021) Fanwang Meng et al.   Scientific Data

Absorption and Intestinal Metabolic Profile of Oleocanthal in Rats

(2020) López-Yerena et al.   Pharmaceutics

Combination Therapy of Doxorubicin and Quercetin on Multidrug-Resistant Breast Cancer and Their Sequential Delivery by Reduction-Sensitive Hyaluronic Acid-Based Conjugate/d-α-Tocopheryl Poly(ethylene glycol) 1000 Succinate Mixed Micelles

(2020) Shuo Liu et al.   MOLECULAR PHARMACEUTICS

Adherence to the Mediterranean Diet and Chronic Disease in Australia: National Nutrition and Physical Activity Survey Analysis

(2020) Yasmine S. Aridi et al.   Nutrients

Pharmacokinetics and bioavailability of hydroxytyrosol are dependent on the food matrix in humans

(2020) Carolina Alemán-Jiménez et al.   EUROPEAN JOURNAL OF NUTRITION

P-Glycoprotein: One Mechanism, Many Tasks and the Consequences for Pharmacotherapy of Cancers

(2020) Anna Seelig   Frontiers in Oncology

The Mediterranean Diet: From an Environment-Driven Food Culture to an Emerging Medical Prescription

(2019) Cristina-Mihaela Lăcătușu et al.   International Journal of Environmental Research and Public Health

Hydroxytyrosol, Tyrosol and Derivatives and Their Potential Effects on Human Health

(2019) Karković Marković et al.   MOLECULES

An overview of the pharmacology of olive oil and its active ingredients

(2019) Francesco Visioli et al.   BRITISH JOURNAL OF PHARMACOLOGY

Health Effects of Phenolic Compounds Found in Extra-Virgin Olive Oil, By-Products, and Leaf of Olea europaea L.

(2019) Annalisa Romani et al.   Nutrients

Health-promoting properties of oleocanthal and oleacein: Two secoiridoids from extra-virgin olive oil

(2019) Julián Lozano-Castellón et al.   CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION

The Secrets of the Mediterranean Diet. Does [Only] Olive Oil Matter?

(2019) Alessandra Mazzocchi et al.   Nutrients

The Olive Biophenols Oleuropein and Hydroxytyrosol Selectively Reduce Proliferation, Influence the Cell Cycle, and Induce Apoptosis in Pancreatic Cancer Cells

(2018) Chloe Goldsmith et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structure of a zosuquidar and UIC2-bound human-mouse chimeric ABCB1

(2018) Amer Alam et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

OliveNet™: a comprehensive library of compounds from Olea europaea

(2018) Natalie P Bonvino et al.   Database-The Journal of Biological Databases and Curation

Investigating the state dependence of drug binding in hERG channels using a trapped-open channel phenotype

(2018) Samrat Thouta et al.   Scientific Reports

Structure Properties, Acquisition Protocols, and Biological Activities of Oleuropein Aglycone

(2018) Fangxue Xu et al.   Frontiers in Chemistry

Therapeutic Potential and Utility of Elacridar with Respect to P-glycoprotein Inhibition: An Insight from the Published In Vitro, Preclinical and Clinical Studies

(2017) Ranjeet Prasad Dash et al.   EUROPEAN JOURNAL OF DRUG METABOLISM AND PHARMACOKINETICS

Bioactivity of Olive Oil Phenols in Neuroprotection

(2017) Cristina Angeloni et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Development of Safe Drugs: The hERG Challenge

(2017) Subha Kalyaanamoorthy et al.   MEDICINAL RESEARCH REVIEWS

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

Investigation of miscellaneous hERG inhibition in large diverse compound collection using automated patch-clamp assay

(2016) Hai-bo Yu et al.   ACTA PHARMACOLOGICA SINICA

Physiology of Intestinal Absorption and Secretion

(2016) Pawel R. Kiela et al.   BEST PRACTICE & RESEARCH IN CLINICAL GASTROENTEROLOGY

Novel cell-free high-throughput screening method for pharmacological tools targeting K+channels

(2016) Zhenwei Su et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Mediterranean Diet, its Components, and Cardiovascular Disease

(2015) R. Jay Widmer et al.   AMERICAN JOURNAL OF MEDICINE

How the Seven Countries Study contributed to the definition and development of the Mediterranean diet concept: A 50-year journey

(2015) A. Menotti et al.   NUTRITION METABOLISM AND CARDIOVASCULAR DISEASES

In silico ADME/T modelling for rational drug design

(2015) Yulan Wang et al.   QUARTERLY REVIEWS OF BIOPHYSICS

Definitions and potential health benefits of the Mediterranean diet: views from experts around the world

(2014) Antonia Trichopoulou et al.   BMC Medicine

Early identification of hERG liability in drug discovery programs by automated patch clamp

(2014) Timm Danker et al.   Frontiers in Pharmacology

Unraveling the mysteries of serum albumin—more than just a serum protein

(2014) Angelica M. Merlot et al.   Frontiers in Physiology

Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences

(2013) Art D. Bochevarov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

(2013) G. Madhavi Sastry et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The P-Glycoprotein Transport System and Cardiovascular Drugs

(2013) Jeffrey D. Wessler et al.   JOURNAL OF THE AMERICAN COLLEGE OF CARDIOLOGY

Human absorption and metabolism of oleuropein and hydroxytyrosol ingested as olive (Olea europaeaL.) leaf extract

(2013) Martin de Bock et al.   MOLECULAR NUTRITION & FOOD RESEARCH

Cytochrome P450 enzymes in drug metabolism: Regulation of gene expression, enzyme activities, and impact of genetic variation

(2013) Ulrich M. Zanger et al.   PHARMACOLOGY & THERAPEUTICS

Multiple Transport-Active Binding Sites Are Available for a Single Substrate on Human P-Glycoprotein (ABCB1)

(2013) Eduardo E. Chufan et al.   PLoS One

Finding the sweet spot: the role of nature and nurture in medicinal chemistry

(2012) Michael M. Hann et al.   NATURE REVIEWS DRUG DISCOVERY

Penetration of verapamil across blood brain barrier following cerebral ischemia depending on both paracellular pathway and P-glycoprotein transportation

(2012) Weirong Fang et al.   NEUROCHEMISTRY INTERNATIONAL

Activation of human ether-a-go-go related gene (hERG) potassium channels by small molecules

(2011) Ping-zheng Zhou et al.   ACTA PHARMACOLOGICA SINICA

Application of LC-MS/MS method for the in vivo metabolite determination of oleuropein after intravenous administration to rat

(2011) Ting Zhou et al.   BIOMEDICAL CHROMATOGRAPHY

Absorption and metabolism of olive oil secoiridoids in the small intestine

(2011) Joana Pinto et al.   BRITISH JOURNAL OF NUTRITION

SwissParam: A fast force field generation tool for small organic molecules

(2011) Vincent Zoete et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Novel Approach for Predicting P-Glycoprotein (ABCB1) Inhibition Using Molecular Interaction Fields

(2011) Fabio Broccatelli et al.   JOURNAL OF MEDICINAL CHEMISTRY

Distribution of olive oil phenolic compounds in rat tissues after administration of a phenolic extract from olive cake

(2011) Aida Serra et al.   MOLECULAR NUTRITION & FOOD RESEARCH

Novel roles for hERG K+ channels in cell proliferation and apoptosis

(2011) J Jehle et al.   Cell Death & Disease

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

(2010) Pär Bjelkmar et al.   Journal of Chemical Theory and Computation

Lipidbook: A Public Repository for Force-Field Parameters Used in Membrane Simulations

(2010) Jan Domański et al.   JOURNAL OF MEMBRANE BIOLOGY

Analogs of MK-499 are differentially affected by a mutation in the S6 domain of the hERG K+ channel

(2009) Jerzy Karczewski et al.   BIOCHEMICAL PHARMACOLOGY

Characteristics of compounds that cross the blood-brain barrier

(2009) William A Banks   BMC Neurology

Extra virgin olive oil phenolics: absorption, metabolism, and biological activities in the GI tract

(2009) G Corona et al.   TOXICOLOGY AND INDUSTRIAL HEALTH

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Neuroprotective effect of hydroxytyrosol and hydroxytyrosol acetate in rat brain slices subjected to hypoxia–reoxygenation

(2008) José Antonio González-Correa et al.   NEUROSCIENCE LETTERS

Role of cytochrome P450 in drug interactions

(2008) Zakia Bibi   Nutrition & Metabolism

Blockade of HERG human K+ channels and IKr of guinea-pig cardiomyocytes by the antipsychotic drug clozapine

(2006) So-Young Lee et al.   BRITISH JOURNAL OF PHARMACOLOGY