Molecular dynamics simulations of the interactions of medicinal plant extracts and drugs with lipid bilayer membranes

Insight into NSAID-induced membrane alterations, pathogenesis and therapeutics: Characterization of interaction of NSAIDs with phosphatidylcholine

(2012) Lenard M. Lichtenberger et al.   BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS

Tuning Membrane Phase Separation Using Nonlipid Amphiphiles

(2012) Hari S. Muddana et al.   BIOPHYSICAL JOURNAL

Identification of Drugs Including a Dopamine Receptor Antagonist that Selectively Target Cancer Stem Cells

(2012) Eleftherios Sachlos et al.   CELL

A possible molecular mechanism for the pressure reversal of general anaesthetics: Aggregation of halothane in POPC bilayers at high pressure

(2012) K.M. Tu et al.   CHEMICAL PHYSICS LETTERS

The influence of plant stanol (β-sitostanol) on inner leaflet of human erythrocytes membrane modeled with the Langmuir monolayer technique

(2012) Katarzyna Hąc-Wydro et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Strong preferences of dopamine and l-dopa towards lipid head group: importance of lipid composition and implication for neurotransmitter metabolism

(2012) Adam Orłowski et al.   JOURNAL OF NEUROCHEMISTRY

Structure and Elasticity of Lipid Membranes with Genistein and Daidzein Bioflavinoids Using X-ray Scattering and MD Simulations

(2012) Mohit Raghunathan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Diffusive Nature of Xenon Anesthetic Changes Properties of a Lipid Bilayer: Molecular Dynamics Simulations

(2012) Eiji Yamamoto et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The effect of pressure on halothane binding to hydrated DMPC bilayers

(2012) P.-L. Chau et al.   MOLECULAR PHYSICS

Practical and innate carbon–hydrogen functionalization of heterocycles

(2012) Yuta Fujiwara et al.   NATURE

Does Cholesterol Play a Role in the Bacterial Selectivity of Antimicrobial Peptides?

(2012) Jeffrey R. Brender et al.   Frontiers in Immunology

Interaction of curcumin with lipid monolayers and liposomal bilayers

(2011) Anna Karewicz et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Comparison of thermal effects of stilbenoid analogs in lipid bilayers using differential scanning calorimetry and molecular dynamics: correlation of thermal effects and topographical position with antioxidant activity

(2011) Catherine Koukoulitsa et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Phenothiazines as anti-tubercular agents: mechanistic insights and clinical implications

(2011) Sadhna Sharma et al.   EXPERT OPINION ON INVESTIGATIONAL DRUGS

Recent advances in understanding the antibacterial properties of flavonoids

(2011) T.P. Tim Cushnie et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Thermodynamic study of benzocaine insertion into different lipid bilayers

(2011) J. J. López Cascales et al.   JOURNAL OF CHEMICAL PHYSICS

The Influence of Cholesterol on the Properties and Permeability of Hypericin Derivatives in Lipid Membranes

(2011) Emma S. E. Eriksson et al.   Journal of Chemical Theory and Computation

Statistical Convergence of Equilibrium Properties in Simulations of Molecular Solutes Embedded in Lipid Bilayers

(2011) Chris Neale et al.   Journal of Chemical Theory and Computation

Molecular aspects of the interaction between plants sterols and DPPC bilayers

(2011) Claudia Silva et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Positioning of Antioxidant Quercetin and Its Metabolites in Lipid Bilayer Membranes: Implication for Their Lipid-Peroxidation Inhibition

(2011) Pavlína Košinová et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The saponins – polar isoprenoids with important and diverse biological activities

(2011) Anne Osbourn et al.   NATURAL PRODUCT REPORTS

X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel

(2011) Hugues Nury et al.   NATURE

Molecular dynamics simulations of local anesthetic articaine in a lipid bilayer

(2010) Enamul H. Mojumdar et al.   BIOPHYSICAL CHEMISTRY

Interaction of Salicylate and a Terpenoid Plant Extract with Model Membranes: Reconciling Experiments and Simulations

(2010) Himanshu Khandelia et al.   BIOPHYSICAL JOURNAL

Partitioning of Nonsteroidal Antiinflammatory Drugs in Lipid Membranes: A Molecular Dynamics Simulation Study

(2010) Mohan Babu Boggara et al.   BIOPHYSICAL JOURNAL

The effect of variations in phospholipid and sterol structure on the nature of lipid–sterol interactions in lipid bilayer model membranes

(2010) David A. Mannock et al.   CHEMISTRY AND PHYSICS OF LIPIDS

CHARMM-based parameterization of neutral articaine-A widely used local anesthetic

(2010) Érica T. Prates et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Inclusion of Terpenoid Plant Extracts in Lipid Bilayers Investigated by Molecular Dynamics Simulations†

(2010) Sarah Witzke et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Membrane-Mediated Effect on Ion Channels Induced by the Anesthetic Drug Ketamine

(2010) Hansjörg Jerabek et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Permeability of drugs and hormones through a lipid bilayer: insights from dual-resolution molecular dynamics

(2010) Mario Orsi et al.   Soft Matter

Disturb or Stabilize? A Molecular Dynamics Study of the Effects of Resorcinolic Lipids on Phospholipid Bilayers

(2009) Magdalena E. Siwko et al.   BIOPHYSICAL JOURNAL

The role of efflux pumps in macrolide resistance in Mycobacterium avium complex

(2009) Liliana Rodrigues et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Aspirin Use and Survival After Diagnosis of Colorectal Cancer

(2009) Andrew T. Chan   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

Molecular Binding of Catechins to Biomembranes: Relationship to Biological Activity

(2009) Timothy W. Sirk et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Properties and Permeability of Hypericin and Brominated Hypericin in Lipid Membranes

(2009) Emma S. E. Eriksson et al.   Journal of Chemical Theory and Computation

Hemolytic mechanism of dioscin proposed by molecular dynamics simulations

(2009) Fu Lin et al.   JOURNAL OF MOLECULAR MODELING

Study of the Benzocaine Transfer from Aqueous Solution to the Interior of a Biological Membrane

(2009) Rodolfo D. Porasso et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Determining the Effects of Lipophilic Drugs on Membrane Structure by Solid-State NMR Spectroscopy: The Case of the Antioxidant Curcumin

(2009) Jeffrey Barry et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Small-Angle Neutron Scattering Studies of Phospholipid−NSAID Adducts

(2009) Mohan Babu Boggara et al.   LANGMUIR

Molecular dynamics study of biomembrane/local anesthetics interactions

(2009) R.C. Bernardi et al.   MOLECULAR PHYSICS

Dipalmitoylphosphatidylcholine membranes modified with carotenoid pigment lutein: Experiment versus Monte Carlo simulation study of the membrane organization

(2008) Witold Okulski et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Ordering effects of cholesterol and its analogues

(2008) Tomasz Róg et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Distribution and favorable binding sites of pyrroloquinoline and its analogues in a lipid bilayer studied by molecular dynamics simulations

(2008) Alexander Kyrychenko et al.   BIOPHYSICAL CHEMISTRY

Antioxidant properties of resveratrol and piceid on lipid peroxidation in micelles and monolamellar liposomes

(2008) Sabrina Fabris et al.   BIOPHYSICAL CHEMISTRY

Distribution and Dynamics of Adamantanes in a Lipid Bilayer

(2008) Chee Foong Chew et al.   BIOPHYSICAL JOURNAL

Curcumin: From ancient medicine to current clinical trials

(2008) H. Hatcher et al.   CELLULAR AND MOLECULAR LIFE SCIENCES

Distribution of neutral prilocaine in a phospholipid bilayer: Insights from molecular dynamics simulations

(2008) Mónica Pickholz et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Molecular Dynamics Study on the Biophysical Interactions of Seven Green Tea Catechins with Lipid Bilayers of Cell Membranes

(2008) Timothy W. Sirk et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Replacing the Cholesterol Hydroxyl Group with the Ketone Group Facilitates Sterol Flip-Flop and Promotes Membrane Fluidity

(2008) Tomasz Róg et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High-Affinity Small Molecule−Phospholipid Complex Formation: Binding of Siramesine to Phosphatidic Acid

(2008) Mikko J. Parry et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Local Anesthetic Lidocaine on Electrostatic Properties of a Lipid Bilayer

(2007) Carl-Johan Högberg et al.   BIOPHYSICAL JOURNAL