Publications related to Drug design

The FDA-approved natural product dihydroergocristine reduces the production of the Alzheimer's disease amyloid-beta peptides

Patrick Fraering, Jianhua Liu, Jing Yu

Known gamma-secretase inhibitors or modulators display an undesirable pharmacokinetic profile and toxicity and have therefore not been successful in clinical trials for Alzheimer's disease (AD). So far, no compounds from natural products have been identifi ...

Nature Publishing Group2015

2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1

Stewart Cole, Neeraj Dhar, Florence Pojer, Ruben Hartkoorn, Gaëlle Séraphine Kolly, Joao Pedro De Almeida Neres

Phenotypic screening of a quinoxaline library against replicating Mycobacterium tuberculosis led to the identification of lead compound Ty38c (3-((4-methoxybenzyl)amino)-6-(trifluoromethyl)quinoxaline-2-carboxylic acid). With an MIC99 and MBC of 3.1 mu M, ...

American Chemical Society2015

What Are the Best Materials To Separate a Xenon/Krypton Mixture?

Berend Smit, Cory Matthew Simon, Rocio Mercado, Sondre Kvalvag Schnell

Accelerating progress in the discovery and deployment of advanced nanoporous materials relies on chemical insight and structure-property relationships for rational design. Because of the complexity of this problem, trial-and-error is heavily involved in th ...

American Chemical Society2015

Predictive Models for Thermal Behavior of Chemicals with Quantitative Structure-Property Relationships

Thierry Meyer, Annik Nanchen, Francis Stoessel, Nadia Baati

Most processes in the chemical industry involve potentially hazardous steps. It is thus of critical importance to perform risk assessments and to know the thermal behavior of the chemicals at stake. A widely used thermal analysis, differential scanning cal ...

Wiley-Blackwell2015

Modulating protein activity using tethered ligands with mutually exclusive binding sites

Kai Johnsson, Rudolf Griss, Alberto Schena

The possibility to design proteins whose activities can be switched on and off by unrelated effector molecules would enable applications in various research areas, ranging from biosensing to synthetic biology. We describe here a general method to modulate ...

Nature Publishing Group2015

In vivo evaluation of small-molecule thermoresponsive anticancer drugs potentiated by hyperthermia

Paul Joseph Dyson, Patrycja Nowak-Sliwinska, Catherine Marie Amélie Clavel, Emilia Paunescu

Hyperthermia used as an adjuvant with chemotherapy is highly promising in the treatment of certain cancers. Currently, the small molecule drugs used in combination with hyperthermia were not designed for this application. Herein, we report the evaluation o ...

2015

Improving Risk Regulation

Marie-Valentine Renée Agnès Florin

Confronted with the challenge of improving regulatory performance, many governments in the world are looking for ways to better manage risks, in particular those risks that develop in complex systems, with stakeholders from various sectors, and that are ma ...

International Risk Governance Council (IRGC)2015

Designer Matter: A perspective

Pedro Miguel Nunes Pereira de Almeida Reis

The surge of modern techniques to fabricate structured materials paired with our ever deeper understanding of complex forms of matter present us with the opportunity to make and study dramatically new forms of designed materials and structures.This movemen ...

2015

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Drug design

The FDA-approved natural product dihydroergocristine reduces the production of the Alzheimer's disease amyloid-beta peptides

2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1

De l'usage des protons hyperpolarisés pour augmenter la sensibilité de la RMN

What Are the Best Materials To Separate a Xenon/Krypton Mixture?

Predictive Models for Thermal Behavior of Chemicals with Quantitative Structure-Property Relationships

Modulating protein activity using tethered ligands with mutually exclusive binding sites

In vivo evaluation of small-molecule thermoresponsive anticancer drugs potentiated by hyperthermia

Lead Optimisation of a Novel Small Molecule Notch Inhibitor

Improving Risk Regulation

Designer Matter: A perspective

Graph Chatbot

Chat with Graph Search

De l'usage des protons hyperpolarisés pour augmenter la sensibilité de la RMN

Predictive Models for Thermal Behavior of Chemicals with Quantitative Structure-Property Relationships

In vivo evaluation of small-molecule thermoresponsive anticancer drugs potentiated by hyperthermia

Modulating protein activity using tethered ligands with mutually exclusive binding sites

Lead Optimisation of a Novel Small Molecule Notch Inhibitor

The FDA-approved natural product dihydroergocristine reduces the production of the Alzheimer's disease amyloid-beta peptides

2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1

What Are the Best Materials To Separate a Xenon/Krypton Mixture?

Improving Risk Regulation

Designer Matter: A perspective