Publications related to Pharmaceutical industry

From Sequence to Dynamics to Function: Computational Design of Allostery and Ligand Selectivity in G-Protein Coupled Receptors

The phenomenon of allostery, a general property in proteins that has been heralded as "the second secret of life" remains elusive to our understanding and even more challenging to incorporate into protein design. One example of allosteric proteins with gre ...

EPFL2024

First Advanced Bilayer Scaffolds for Tailored Skin Tissue Engineering Produced via Electrospinning and Melt Electrowriting

Biranche Tandon, Nicolas Tissot

In vitro skin models are validated methods for screening cosmetics and pharmaceuticals, but still have limitations. The bilayer poly(epsilon-caprolactone) scaffold/membrane model described here overcomes some of these deficits by integrating a solution ele ...

Wiley-V C H Verlag Gmbh2024

Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement Learning

Philippe Schwaller, Jeff Guo

Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal calls to oracles (computational property predictors). This problem becomes more apparen ...

Amer Chemical Soc2024

Imaging Radial Distribution Functions of Complex Particles by Relayed Dynamic Nuclear Polarization

David Lyndon Emsley, Arthur César Pinon, Pierrick Berruyer

The physical properties of many modern multi-component materials are determined by their internal microstructure. Tools capable of characterizing complex nanoscale architectures in composite materials are, therefore, essential to design materials with targ ...

2023

Development of methods for the synthesis of large combinatorial libraries of macrocyclic compounds

Mischa Schüttel

Macrocycles have raised much interest in the pharmaceutical industry due to their ability to bind challenging targets while often still being able to cross membranes to reach intracellular proteins. However, the development of macrocyclic ligands to new di ...

EPFL2023

Generating macrocyclic inhibitors of protein-protein interactions

Gontran Sangouard

Protein-protein interactions (PPIs) play important roles in many diseases and their modulation is an attractive strategy for developing new therapeutics. However, the relatively large and often flat binding surfaces of PPIs makes the development of inhibit ...

EPFL2022

Identification of broad anti-coronavirus chemical agents for repurposing against SARS-CoV-2 and variants of concern

Gerardo Turcatti, Fabien Kuttler, Michael Bauer, Liliane Yang

Endemic human coronaviruses (hCoVs) 229E and OC43 cause respiratory disease with recurrent infections, while severe acute respiratory syndrome (SARS)-CoV-2 spreads across the world with impact on health and societies. Here, we report an image-based multicy ...

2022

Epidemicity of cholera spread and the fate of infection control measures

Andrea Rinaldo, Cristiano Trevisin, Lorenzo Mari, Joseph Chadi Benoit Lemaitre, Damiano Pasetto, Marino Gatto

The fate of ongoing infectious disease outbreaks is predicted through reproduction numbers, defining the long-term establishment of the infection, and epidemicity indices, tackling the reactivity of the infectious pool to new contagions. Prognostic metrics ...

2022

Novel irreversible covalent BTK inhibitors discovered using DNA-encoded chemistry

Sevan Mleh Habeshian, Ying Zhang

Libraries of DNA-Encoded small molecules created using combinatorial chemistry and synthetic oligonucleotides are being applied to drug discovery projects across the pharmaceutical industry. The majority of reported projects describe the discovery of rever ...

PERGAMON-ELSEVIER SCIENCE LTD2021

A computational workflow for the expansion of heterologous biosynthetic pathways to natural product derivatives

Vassily Hatzimanikatis, Jasmin Maria Hafner

Plant natural products (PNPs) and their derivatives are important but underexplored sources of pharmaceutical molecules. To access this untapped potential, the reconstitution of heterologous PNP biosynthesis pathways in engineered microbes provides a valua ...

Nature Research2021

Laser-induced liquid micro-jets for drug delivery

Jan Krizek

Jet injection devices have been studied and developed for transdermal drug delivery to avoid the use of needles. Such contact-less devices provide several advantages such as better dose control, lateral and depth localisation, lower collateral damage than ...

EPFL2021

Elezanumab, a human anti-RGMa monoclonal antibody, promotes neuroprotection, neuroplasticity, and neurorecovery following a thoracic hemicompression spinal cord injury in non-human primates

Grégoire Courtine, Quentin Barraud, Lili Huang, Xiaomeng Zhang

Spinal cord injury (SCI) is a devastating condition characterized by loss of function, secondary to damaged spinal neurons, disrupted axonal connections, and myelin loss. Spontaneous recovery is limited, and there are no approved pharmaceutical treatments ...

2021

Electrochemical determination of nicotine in smokers' sweat

Sandro Carrara, Tugba Kilic

In this work, we report the demonstration of the capability of electrochemical sensors to provide measurements directly on the sweat of volunteers to successfully discriminate heavy smokers by light ones. Since its importance as pharmaceutical treatment-ag ...

ELSEVIER2020

A perspective view on the nanomotion detection of living organisms and its features

Giovanni Dietler, Sandor Kasas, Anne-Céline Verenna Kohler, María Inés Villalba, Petar Stupar, Giovanni Longo, Leonardo Venturelli, Massimiliano Bertacchi

The insurgence of newly arising, rapidly developing health threats, such as drug-resistant bacteria and cancers, is one of the most urgent public-health issues of modern times. This menace calls for the development of sensitive and reliable diagnostic tool ...

WILEY2020

Epitope Mapping and Fine Specificity of Human T and B Cell Responses for Novel Candidate Blood-Stage Malaria Vaccine P27A

Bruno Emanuel Ferreira De Sousa Correia, Che Yang, Daniel Guignard

P27A is a novel synthetic malaria vaccine candidate derived from the blood stage Plasmodium falciparum protein Trophozoite Exported Protein 1 (TEX1/PFF0165c). In phase 1a/1b clinical trials in malaria unexposed adults in Switzerland and in malaria pre-expo ...

2020

Latest advances in aging research and drug discovery

Andrea Ablasser

An increasing aging population poses a significant challenge to societies worldwide. A better understanding of the molecular, cellular, organ, tissue, physiological, psychological, and even sociological changes that occur with aging is needed in order to t ...

IMPACT JOURNALS LLC2019

Advancing Drug Discovery via Artificial Intelligence

Horst Vogel, Shuguang Yuan, Thamani Dahoun

Drug discovery and development are among the most important translational science activities that contribute to human health and wellbeing. However, the development of a new drug is a very complex, expensive, and long process which typically costs 2.6 bill ...

ELSEVIER SCIENCE LONDON2019

Recombinant Proteins for Industrial versus Pharmaceutical Purposes: A Review of Process and Pricing

Florian Maria Wurm

Recombinant proteins have been produced for over 30 years. Applications range from enzymes used in laundry detergents to antigen-detecting antibodies in cancer therapy. Despite similarities in manufacturing, drastic differences in retail pricing between re ...

2019

New Binding Sites, New Opportunities for GPCR Drug Discovery

Horst Vogel, Shuguang Yuan, Thamani Dahoun, Yen-Huan Li, Yifan Li

Many central biological events rely on protein-ligand interactions. The identification and characterization of protein-binding sites for ligands are crucial for the understanding of functions of both endogenous ligands and synthetic drug molecules. G prote ...

ELSEVIER SCIENCE LONDON2019

Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases

Michele Ceriotti, David Mark Wilkins, Andrea Grisafi, Yang Yang

While density functional theory (DFT) is often an accurate and efficient methodology for evaluating molecular properties such as energies and multipole moments, this approach often yields larger errors for response properties such as the dipole polarizabil ...

2019