Publications related to Molecular binding

De novo designed proteins: a study in engineering novel folds and functions

Proteins control nearly every facet of life on a molecular level. Proteins are formed from linear strings of amino acids, which fold into three-dimensional structures that can enact functions. Evolution has created highly efficient proteins in diverse fold ...

EPFL2023

Polyanionic Amphiphilic Dendritic Polyglycerols as Broad-Spectrum Viral Inhibitors with a Virucidal Mechanism

Francesco Stellacci, Valeria Cagno, Matteo Gasbarri

Heparin has been known to be a broad-spectrum inhibitor of viral infection for almost 70 years, and it has been used as a medication for almost 90 years due to its anticoagulant effect. This nontoxic biocompatible polymer efficiently binds to many types of ...

American Chemical Society2022

Stabilizing Unusual Oxidation States of Lanthanides in Molecular Complexes: Synthesis, Properties, and Reactivity

Aurélien René Willauer

The chemistry of divalent lanthanides has generated increasing interest in the past years due to their redox properties and unique reaction pathways. Notably, molecular complexes of low-valent lanthanides have been shown to be suitable one-electron reducta ...

EPFL2022

Modeling non-covalent interactions in condensed phase

Veronika Juraskova

The modeling of non-covalent interactions, solvation effects, and chemical reactions in complex molecular environment is a challenging task. Current state-of-the-art approaches often rely on static computations using implicit solvent models and harmonic ap ...

EPFL2022

Two-step immobilization of metronidazole prodrug on TEMPO cellulose nanofibrils through thiol-yne click chemistry for in situ controlled release

David Lyndon Emsley, Jasmine Viger-Gravel, Michel Bardet, Julien Bras

Nowadays, drug encapsulation and drug release from cellulose nanofibrils systems are intense research topics, and commercial grades of cellulose nanomaterials are currently available. In this work we present an ester-containing prodrug of metronidazole tha ...

ELSEVIER SCI LTD2021

Allosteric Protein Switches based on Antibody Mimetics

Helen Rebecca Ostlund Farrants

Synthetic protein switches are proteins that can be controlled by an external input, and are useful tools to probe protein function. Antibody fragments and antibody mimetics can be selected to bind, activate, or inhibit several diverse protein targets. Nev ...

EPFL2019

Characterization of DprE1-Mediated Benzothiazinone Resistance in Mycobacterium tuberculosis

Stewart Cole, Claudia Sala, Stefanie Boy-Röttger, Joao Pedro De Almeida Neres, Benoit Lechartier, Jérémie Piton, Gaëlle Séraphine Kolly, Jan Lars Rybniker, Shi-Yan Caroline Foo, Andréanne Lupien

Benzothiazinones (BTZs) are a class of compounds found to be extremely potent against both drug-susceptible and drug-resistant Mycobacterium tuberculosis strains. The potency of BTZs is explained by their specificity for their target decaprenylphosphoryl-D ...

American Society for Microbiology2016

Real-Time Label-Free Direct Electronic Monitoring of Topoisomerase Enzyme Binding Kinetics on Graphene

Klaus Kern, Kannan Balasubramanian

Mono layer graphene field-effect sensors operating in liquid have been widely deployed for detecting a range of analyte species often under equilibrium conditions. Here we report on the real-time detection of the binding kinetics of the essential human enz ...

Amer Chemical Soc2015

Reversible supramolecular modification of surfaces

Negar Moridi

Enzymes are biocatalysts widely used in a large number of industrial biotech processes as they offer clear advantages over their chemical counterparts. Indeed, enzymes often show high substrate selectivity along with elevated turnover rates. Enzymatic cata ...

EPFL2015

Towards a new combination therapy for tuberculosis with next generation benzothiazinones

Paul Joseph Dyson, Stewart Cole, Florence Pojer, Ruben Hartkoorn, Ming Zhang, Joao Pedro De Almeida Neres, Anthony Vocat, Benoit Lechartier, Thierry Buclin

The benzothiazinone lead compound, BTZ043, kills Mycobacterium tuberculosis by inhibiting the essential flavo-enzyme DprE1, decaprenylphosphoryl-beta-D-ribose 2-epimerase. Here, we synthesized a new series of piperazine-containing benzothiazinones (PBTZ) a ...

2014

Binding of Biotin to Streptavidin: A combined fluorescence correlation spectroscopy and time-resolved fluorescence study

Mostafa Shalaby

The Biotin-Streptavidin complex is a widely studied system in biology and biophysics, because of its extremely strong non-covalent binding affinity. The latter is often exploited to link molecules to substrates or to one another. However, the details of th ...

2011

Method and compositions for inhibition of macrophage migration inhibitory factor (mif)

Hilal Lashuel, Hajer Ouertatani-Sakouhi

The present invention relates to methods for inhibition of tautomerase activity of macrophage migration inhibitory factor (MIF). The invention further relates to substances for irreversibly covalently binding to MIF for inhibition of tautomerase activity. ...

2011

Biofunctional Scaffold Design for Soft Tissue Regeneration

Kristen Lorentz

Fibrin has long been used clinically for hemostasis and sealing and has been extensively characterized as a biomaterial. Yet, in terms of harnessing its potential for use in tissue regeneration, there remains a wide gap between in vitro experimentation and ...

EPFL2011

Hybrid Polymer Therapeutics Incorporating Bioresponsive, Coiled Coil Peptide Linkers

Nanopharmaceuticals or nanomedicines are defined as nanometer sized (1 to 1000 nm) complex systems, consisting of at least two components, one of which being the biologically active moiety such as a drug, peptide, protein or nucleotide. Several nano-sized ...

EPFL2010

Hybrid microfluidic cartridge formed by irreversible bonding of SU-8 and PDMS for multi-layer flow applications

Nico de Rooij, Peter Van der Wal, Sara Talaei, Olivier Frey

SU-8 and polydimethylsiloxane (PDMS) are both transparent materials with properties very convenient for rapid prototyping of microfluidic systems. However, previous efforts of combining these two materials failed due to poor adhesion between them. Herein, ...

Elsevier Science, Reg Sales Off, Customer Support Dept, 655 Ave Of The Americas, New York, Ny 10010 Usa2009

Emerging Protein Targets for Anticancer Metallodrugs: Inhibition of Thioredoxin Reductase and Cathepsin B by Antitumor Ruthenium(II)-Arene Compounds

Paul Joseph Dyson, Christian Hartinger, Angela Casini

A series of ruthenium(II)-arene (RAPTA) compds. were evaluated for their ability to inhibit thioredoxin reductase (either cytosolic or mitochondrial) and cathepsin B, two possible targets for anticancer metallodrugs. In general, inhibition of the thioredox ...

2008

Organometallic ruthenium inhibitors of glutathione-S-transferase P1-1 as anticancer drugs

Paul Joseph Dyson, Wee Han Ang

Ruthenium-arene complexes conjugated to ethacrynic acid were prepared as part of a strategy to develop novel glutathione-S-transferase (GST) inhibitors with alternate modes of activity through the organometallic fragment, ultimately to provide targeted rut ...

Wiley-Blackwell2007

A novel reactive perstraction system based on liquid-core microcapsules applied to lipase-catalyzed biotransformations

Urs von Stockar, Ian William Marison

A novel reactive perstraction system has been developed based on liq.-core capsules, involving an enzyme-catalyzed reaction coupled with simultaneous in situ product recovery. Lipase-catalyzed reactions, hydrolysis of triprionin and nitrophenyl laurate, we ...

2006

Duocarmycins binding to DNA explored by molecular simulation

Ursula Röthlisberger, Paolo Carloni

Duocarmycins are a potent class of antitumor agents. Their activity arises by their covalent binding to adenine nucleobases of DNA. We use classical mol. dynamics and hybrid (QM/MM) Car-Parrinello mol. dynamics simulations to study non-covalent and covalen ...

2005