Insight into Inhibitory Mechanism of PDE4D by Dietary Polyphenols Using Molecular Dynamics Simulations and Free Energy Calculations

Rosemary (Rosmarinus officinalis L.): extraction techniques, analytical methods and health-promoting biological effects

(2021) Samo Lešnik et al.   PHYTOCHEMISTRY REVIEWS

Protective Effects of [6]-Gingerol Against Chemical Carcinogens: Mechanistic Insights

(2020) Furlan et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

CANDOCK: Chemical Atomic Network-Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials

(2020) Jonathan Fine et al.   Journal of Chemical Information and Modeling

Advances in the development of phosphodiesterase-4 inhibitors

(2020) Ting Peng et al.   JOURNAL OF MEDICINAL CHEMISTRY

Aflatoxin B1–Formamidopyrimidine DNA Adducts: Relationships between Structures, Free Energies, and Melting Temperatures

(2019) Martin Klvana et al.   MOLECULES

Discovery of Novel Potential Human Targets of Resveratrol by Inverse Molecular Docking

(2019) Katarina Kores et al.   Journal of Chemical Information and Modeling

Uncovering the Role of Key Active-Site Side Chains in Catalysis: An Extended Brønsted Relationship for Substrate Deprotonation Catalyzed by Wild-Type and Variants of Triosephosphate Isomerase

(2019) Yashraj S. Kulkarni et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

“Apremilast and Psoriasis in the Real World: A Retrospective Case Series”

(2019) L. Dozier et al.   JOURNAL OF THE AMERICAN ACADEMY OF DERMATOLOGY

Phosphodiesterase inhibitors say NO to Alzheimer's disease

(2019) Seyed Mohammad Nabavi et al.   FOOD AND CHEMICAL TOXICOLOGY

Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds

(2018) Tommaso Prosdocimi et al.   BIOCHEMISTRY

Novel Phosphodiesterase Inhibitors for Cognitive Improvement in Alzheimer’s Disease

(2018) Yinuo Wu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Memory enhancing effects of BPN14770, an allosteric inhibitor of phosphodiesterase-4D, in wild-type and humanized mice

(2018) Chong Zhang et al.   NEUROPSYCHOPHARMACOLOGY

Inverse Molecular Docking as a Novel Approach to Study Anticarcinogenic and Anti-Neuroinflammatory Effects of Curcumin

(2018) Veronika Furlan et al.   MOLECULES

Investigational phosphodiesterase inhibitors in phase I and phase II clinical trials for Alzheimer’s disease

(2017) Jos Prickaerts et al.   EXPERT OPINION ON INVESTIGATIONAL DRUGS

Exploring the Stability of Ligand Binding Modes to Proteins by Molecular Dynamics Simulations: A Cross-docking Study

(2017) Kai Liu et al.   Journal of Chemical Information and Modeling

Sembragiline: A Novel, Selective Monoamine Oxidase Type B Inhibitor for the Treatment of Alzheimer’s Disease

(2017) Edilio Borroni et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

Enzyme Architecture: Modeling the Operation of a Hydrophobic Clamp in Catalysis by Triosephosphate Isomerase

(2017) Yashraj S. Kulkarni et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Capsaicin reduces Alzheimer-associated tau changes in the hippocampus of type 2 diabetes rats

(2017) Weijie Xu et al.   PLoS One

Comparison of the Pharmacological Profiles of Selective PDE4B and PDE4D Inhibitors in the Central Nervous System

(2017) Chong Zhang et al.   Scientific Reports

Memory-enhancing effects of GEBR-32a, a new PDE4D inhibitor holding promise for the treatment of Alzheimer’s disease

(2017) Roberta Ricciarelli et al.   Scientific Reports

A new therapeutic for the treatment of moderate-to-severe plaque psoriasis: apremilast

(2016) Andrea Chiricozzi et al.   Expert Review of Clinical Immunology

Polyphenols: Extraction Methods, Antioxidative Action, Bioavailability and Anticarcinogenic Effects

(2016) Eva Brglez Mojzer et al.   MOLECULES

Amyloid binding properties of curcumin analogues in Alzheimer’s disease postmortem brain tissue

(2016) Emma R. Veldman et al.   NEUROSCIENCE LETTERS

The effect of resveratrol on beta amyloid-induced memory impairment involves inhibition of phosphodiesterase-4 related signaling

(2016) Gang Wang et al.   Oncotarget

Dual bronchodilation and exacerbations of COPD

(2016) Mario Cazzola et al.   Journal of Thoracic Disease

Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock

(2015) Ann E. Cleves et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Tau-driven 26S proteasome impairment and cognitive dysfunction can be prevented early in disease by activating cAMP-PKA signaling

(2015) Natura Myeku et al.   NATURE MEDICINE

Synaptic Therapy in Alzheimer’s Disease: A CREB-centric Approach

(2015) Andrew F. Teich et al.   Neurotherapeutics

PLIP: fully automated protein–ligand interaction profiler

(2015) Sebastian Salentin et al.   NUCLEIC ACIDS RESEARCH

Engineered stabilization and structural analysis of the autoinhibited conformation of PDE4

(2015) Peder Cedervall et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Tumour growth inhibition and anti-angiogenic effects using curcumin correspond to combined PDE2 and PDE4 inhibition

(2015) Abdurazzag Abusnina et al.   THROMBOSIS AND HAEMOSTASIS

ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins

(2014) David S. Cerutti et al.   Journal of Chemical Theory and Computation

Clinical and demographic predictors of mild cognitive impairment for converting to Alzheimer's disease and reverting to normal cognition

(2014) Ryo Tokuchi et al.   JOURNAL OF THE NEUROLOGICAL SCIENCES

Advances in targeting cyclic nucleotide phosphodiesterases

(2014) Donald H. Maurice et al.   NATURE REVIEWS DRUG DISCOVERY

Phosphodiesterase-4 (PDE4) Molecular Pharmacology and Alzheimer’s Disease

(2014) Mark E. Gurney et al.   Neurotherapeutics

Active Components of Ginger Potentiate ß-Agonist Induced Relaxation of Airway Smooth Muscle by Modulating Cytoskeletal Regulatory Proteins

(2013) Elizabeth A Townsend et al.   AMERICAN JOURNAL OF RESPIRATORY CELL AND MOLECULAR BIOLOGY

Curcumin and its Derivatives: Their Application in Neuropharmacology and Neuroscience in the 21st Century

(2013) Wing-Hin Lee et al.   Current Neuropharmacology

Resveratrol Ameliorates Aging-Related Metabolic Phenotypes by Inhibiting cAMP Phosphodiesterases

(2012) Sung-Jun Park et al.   CELL

Diverse effects of a low dose supplement of lipidated curcumin in healthy middle aged people

(2012) Robert A DiSilvestro et al.   Nutrition Journal

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

An Abridged Transition State Model To Derive Structure, Dynamics, and Energy Components of DNA Polymerase β Fidelity

(2011) Martin Klvaňa et al.   BIOCHEMISTRY

GEBR-7b, a novel PDE4D selective inhibitor that improves memory in rodents at non-emetic doses

(2011) O Bruno et al.   BRITISH JOURNAL OF PHARMACOLOGY

Insight into the phosphodiesterase mechanism from combined QM/MM free energy simulations

(2011) Kin-Yiu Wong et al.   FEBS Journal

Phosphodiesterase 4B is essential for TH2-cell function and development of airway hyperresponsiveness in allergic asthma

(2010) S.-L. Catherine Jin et al.   JOURNAL OF ALLERGY AND CLINICAL IMMUNOLOGY

The human area postrema and other nuclei related to the emetic reflex express cAMP phosphodiesterases 4B and 4D

(2010) F. Mori et al.   JOURNAL OF CHEMICAL NEUROANATOMY

DNA Duplex Stability: The Role of Preorganized Electrostatics

(2010) Urban Bren et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ibudilast: a review of its pharmacology, efficacy and safety in respiratory and neurological disease

(2009) P Rolan et al.   EXPERT OPINION ON PHARMACOTHERAPY

Dual Inhibitors of Phosphodiesterase-4 and Serotonin Reuptake

(2009) John R. Cashman et al.   JOURNAL OF MEDICINAL CHEMISTRY

Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety

(2009) Alex B Burgin et al.   NATURE BIOTECHNOLOGY