Publications related to Drug design

Reversible Drug Delivery: Thermal and pH Sensitive Composite Membrane for On‐Demand Drug Delivery by Applying an Alternating Magnetic Field (Adv. Mater. Interfaces 17/2020)

Jürgen Brugger, Giovanni Boero, Xiao Sheng Zhang, Ya Wang

In article number 2000733 by Juergen Brugger and co‐workers, a novel composite membrane of silk fibroin, microgels and magnetic nanoparticles whose permeability can be adjusted by temperature for controlled drug release is studied. The temperature induced ...

2020

Macrocycle synthesis strategy based on step-wise “adding and reacting” three components enables screening of large combinatorial libraries

Christian Heinis, Gerardo Turcatti, Julien Bortoli Chapalay, Alessandro Angelini, Alessandro Zorzi, Jonathan Patrice Vesin, Ganesh Kumar Mothukuri, Sangram Shivdas Kale, Carl Leonard Stenbratt

Macrocycles provide an attractive modality for drug development, but generating ligands for new targets is hampered by the limited availability of large macrocycle libraries. We have established a solution-phase macrocycle synthesis strategy in which three ...

2020

Enantioselective Carboetherification/Hydrogenation for the Synthesis of Amino Alcohols via a Catalytically Formed Chiral Auxiliary

Jérôme Waser, Mikus Purins, Phillip Gulliver Dominic Greenwood, Luca Buzzetti

Chiral auxiliaries and asymmetric catalysis are the workhorses of enantioselective transformations, but they still remain limited in terms of either efficiency or generality. Herein, we present an alternative strategy for controlling the stereoselectivity ...

2020

Macromolecular modeling and design in Rosetta: recent methods and frameworks

Bruno Emanuel Ferreira De Sousa Correia, Patrick Daniel Barth, Andreas Scheck, Hamed Khakzad, Alisa Khramushin, Jaume Bonet Martinez, Thomas Huber, Lei Shi

The Rosetta software for macromolecular modeling, docking and design is extensively used in laboratories worldwide. During two decades of development by a community of laboratories at more than 60 institutions, Rosetta has been continuously refactored and ...

NATURE PUBLISHING GROUP2020

Marker-Free Automatic Quantification of Drug-Treated Cardiomyocytes with Digital Holographic Imaging

Gerardo Turcatti, Benjamin Rappaz, Fabien Kuttler, Bokyoung Kim, Pierre Marquet

We use quantitative phase digital holographic microscopy (QP-DHM) to image and quantify the beating movement of cardiomyocytes, derived from induced pluripotent stem cells (iPSCs), in control and drug-treated conditions. The development of an analysis algo ...

AMER CHEMICAL SOC2020

Sustainable Hydrogenation of Nitroarenes to Anilines with Highly Active in-situ Generated Copper Nanoparticles

Berend Smit, Mounir Driss Mensi, Kyriakos Stylianou, Ngoc Tú Nguyên, Christopher Patrick Ireland, Fatma Pelin Uran

Metal nanoparticles (NPs) are usually stabilized by a capping agent, a surfactant, or a support material, to maintain their integrity. However, these strategies can impact their intrinsic catalytic activity. Here, we demonstrate that the in-situ formation ...

2020

Quantitative approaches to unravel bone marrow adipocyte site-specificity and its implication in hematopoiesis

Josefine Catharina Pedersen Tratwal

Over the last decade, bone marrow (BM) adipose tissue (BMAT) has emerged as a distinct adipose depot with unique metabolic properties and effects both in homeostasis and in the progression of disease. We provide a first comprehensive review of existing an ...

EPFL2020

Antenna for a Cranial Implant: Simulation Issues and Design Strategies

Anja Skrivervik, Zvonimir Sipus, Miroslav Veljovic

The design of a specific antenna for a cranial implant is used to illustrate design and simulation issues linked to implantable antennas. After a brief introduction, we will review the requirements for the antenna, and go through the design process, discus ...

IEEE2020

Synthetic Biology: A Solution for Tackling Nanomaterial Challenges

Ardemis Anoush Boghossian, Benjamin Paul Johanès Gabriel Lambert, Alice Judith Gillen

Bioengineers have mastered practical techniques for tuning a biomaterial’s properties with only limited information on the relationship between the material’s structure and function. These techniques have been quintessential to engineering proteins, which ...

2020

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Drug design

Reversible Drug Delivery: Thermal and pH Sensitive Composite Membrane for On‐Demand Drug Delivery by Applying an Alternating Magnetic Field (Adv. Mater. Interfaces 17/2020)

Macrocycle synthesis strategy based on step-wise “adding and reacting” three components enables screening of large combinatorial libraries

Enantioselective Carboetherification/Hydrogenation for the Synthesis of Amino Alcohols via a Catalytically Formed Chiral Auxiliary

Macromolecular modeling and design in Rosetta: recent methods and frameworks

Marker-Free Automatic Quantification of Drug-Treated Cardiomyocytes with Digital Holographic Imaging

Sustainable Hydrogenation of Nitroarenes to Anilines with Highly Active in-situ Generated Copper Nanoparticles

Quantitative approaches to unravel bone marrow adipocyte site-specificity and its implication in hematopoiesis

Antenna for a Cranial Implant: Simulation Issues and Design Strategies

Direct, Mediated, and Delayed Intramolecular Singlet Fission Mechanism in Donor-Acceptor Copolymers

Synthetic Biology: A Solution for Tackling Nanomaterial Challenges

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Chat with Graph Search

Reversible Drug Delivery: Thermal and pH Sensitive Composite Membrane for On‐Demand Drug Delivery by Applying an Alternating Magnetic Field (Adv. Mater. Interfaces 17/2020)

Macromolecular modeling and design in Rosetta: recent methods and frameworks

Enantioselective Carboetherification/Hydrogenation for the Synthesis of Amino Alcohols via a Catalytically Formed Chiral Auxiliary

Antenna for a Cranial Implant: Simulation Issues and Design Strategies

Macrocycle synthesis strategy based on step-wise “adding and reacting” three components enables screening of large combinatorial libraries

Direct, Mediated, and Delayed Intramolecular Singlet Fission Mechanism in Donor-Acceptor Copolymers

Marker-Free Automatic Quantification of Drug-Treated Cardiomyocytes with Digital Holographic Imaging

Sustainable Hydrogenation of Nitroarenes to Anilines with Highly Active in-situ Generated Copper Nanoparticles

Quantitative approaches to unravel bone marrow adipocyte site-specificity and its implication in hematopoiesis

Synthetic Biology: A Solution for Tackling Nanomaterial Challenges