Cyclic Peptides for Drug Development

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Macrocycles provide an attractive modality for drug development but the identification of ligands to targets of interest is hindered by the lack of large macrocyclic compound libraries for high-throughput screening. A strategy to efficiently synthesize lar ...

Determining whether a molecule can be synthesized is crucial in chemistry and drug discovery, as it guides experimental prioritization and molecule ranking in de novo design tasks. Existing scoring approaches to assess synthetic feasibility struggle to ext ...

The application of computational biology in drug development for membrane protein targets has experienced a boost from recent developments in deep learning-driven structure prediction, increased speed and resolution of structure elucidation, machine learni ...

Macrocycles offer an attractive format for drug development due to their good binding properties and potential to cross cell membranes. To efficiently identify macrocyclic ligands for new targets, methods for the synthesis and screening of large combinator ...

Increasing resistance to antiviral drugs approved for the treatment of influenza urges the development of novel compounds. Ideally, this should be complemented by a careful consideration of the administration route. 6′siallyllactosamine-functionalized β-cy ...

This article explores the escalating impact of natural disasters, particularly droughts, in the Southern African Development Community (SADC), with a specific focus on Eswatini. Over the last century, approximately 63 million people in SADC countries have ...

In transitioning toward a sustainable economy, mycelial materials are recognized for their adaptability, biocompatibility, and eco-friendliness. This paper updates the exploration of mycelial materials, defining their scope and emphasizing the need for pre ...

Retinoblastoma is a rare childhood cancer of the eye. Of the small number of drugs are used to treat retinoblastoma, all have been repurposed from drugs developed for other conditions. In order to find drugs or drug combinations better suited to the improv ...

Chemical space maps help visualize similarities within molecular sets. However, there are many different molecular similarity measures resulting in a confusing number of possible comparisons. To overcome this limitation, we exploit the fact that tools desi ...

Retinoblastoma, while relatively rare, stands as the most prevalent intraocular cancer. In Switzerland, the survival rate approaches 100%, but it drops to less than 50% in low-income countries. The current treatment options for retinoblastoma rely on a lim ...

Connectivity between the hyporheic zone and the flow is essential for the development of benthos and the reproductive success of spawning fish. The infiltration of fine sediment leads to clogging of the riverbed, reducing porosity and vertical water exchan ...

A series of Ga(Q(n))(3) coordination compounds have been synthesized, where HQ(n) is 1-phenyl-3-methyl-4-RC(=O)-pyrazolo-5-one. The complexes have been characterized through analytical data, NMR and IR spectroscopy, ESI mass spectrometry, elemental analysi ...

With more than 220 large dams in operation, compared to its surface of some 41ʹ000 km2, Switzerland has a very large fleet. They were erected to meet various economic and protection needs. Their main assignments concern the storage of water for later use, ...

Preventing the misfolding or aggregation of transactive response DNA binding protein with 43 kDa (TDP-43) is the most actively pursued disease-modifying strategy to treat amyotrophic lateral sclerosis and other neurodegenerative diseases. In this work, we ...

Studies on urban environmental quality are evolving emphasizing the need for policy response concerning the enactment of environmental regulations to attain sustainable development goals (SDGs), mainly target 13. Over the years, the concerns to improve urb ...

Optimising the hydration of cementitious materials is crucial to leverage their full potential and avoid wasting resources, embodied energy and CO2. Understanding the fundamental mechanisms is key to reach these objectives. In this paper, we review progres ...

The goal of retinoblastoma (RB) treatment is to save the child's life, eyes and functional vision, with that order of priority. The management of RB is complex and involves strategically chosen methods of surgical enucleation, external beam radiotherapy, i ...

The synthesis of large numbers of cyclic peptides-required, for example, in screens for drug development-is currently limited by the need of chromatographic purification of individual peptides. Herein, we have developed a strategy in which cyclic peptides ...

Anti-cancer therapies often exhibit only short-term effects. Tumors typically develop drug resistance causing relapses that might be tackled with drug combinations. Identification of the right combination is challenging and would benefit from high-content, ...

In the last two decades, the use of OpenFOAM as a multi-physics library for nuclear applications has grown from a sporadic use for exploratory studies to a widespread application for the analysis of innovative reactor concepts and highly complex problems. ...

Cyclic Peptides for Drug Development

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Methods for high-throughput synthesis and screening of peptide libraries

FSscore: A Personalized Machine Learning-Based Synthetic Feasibility Score

Computational drug development for membrane protein targets

Large Libraries of Structurally Diverse Macrocycles Suitable for Membrane Permeation

Inhibition of influenza virus infection in mice by pulmonary administration of a spray dried antiviral drug

Geospatial Tools and Remote Sensing Strategies for Timely Humanitarian Response: A Case Study on Drought Monitoring in Eswatini

Fungal mycelia: From innovative materials to promising products: Insights and challenges

The predictive capacity of in vitro preclinical models to evaluate drugs for the treatment of retinoblastoma

Alchemical analysis of FDA approved drugs

Optimised three-dimensional in vitro retinoblastoma models tailored for drug discovery and clinical translatability

Impact of substrate clogging on vertical connectivity

Multitarget-Directed Gallium(III) Tris(acyl-pyrazolonate) Complexes Induce Ferroptosis in Cancer Cells via Dysregulation of Cell Redox Homeostasis and Inhibition of the Mevalonate Pathway

Swiss dams: Overview of historical development

Effective Inhibition of TDP-43 Aggregation by Native State Stabilization

Determinants of urban environmental quality in Morocco: The roles of energy consumption, urbanization, manufacturing, and financial development in SDG 13

Advances in hydration and thermodynamics of cementitious systems

Repurposed drug combination via high-throughput screening and dual drug delivery system development for the treatment of retinoblastoma

Cyclative Release Strategy to Obtain Pure Cyclic Peptides Directly from the Solid Phase

Combi-seq for multiplexed transcriptome-based profiling of drug combinations using deterministic barcoding in single-cell droplets

On the development of multi-physics tools for nuclear reactor analysis based on OpenFOAM (R): state of the art, lessons learned and perspectives