Oligourea foldamers mimic peptides’ alpha-helices and effectively bind to drug targets

09-Dec-2020

Some useful drugs consist of peptides acting on their protein targets. To make them more efficient and stable, scientists have found a way to replace crucial segments of the peptides with ureido units. These oligoureas, which are composed of urea-based units, fold into a structure similar to that ...

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Machine learning to help identify drug candidates

23-Oct-2020

Prof. Alexandre Tkatchenko and his research team at the University of Luxembourg have been awarded grants totalling 500,000 euros to conduct research in the emerging field of machine learning methods for chemical discoveries. The discovery and formulation of new drugs, antivirals, antibiotics and ...

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Newly designed ligands for a catalytic reaction to synthesize drugs and useful compounds

01-Jul-2020

Currently, various therapeutic compounds in the market, such as proteins, enzymes, and amino acids, are "chiral compounds"--molecules with two structures that are "mirror" images of each other but cannot be superimposed. Although the two variants of the molecule, also called "enantiomers," are ...

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16-Mar-2020

Researchers at the University of Bristol are pioneering the use of virtual reality (VR) as a tool to design the next generation of drug treatments. The findings, published in the journal PLOS ONE describe how researchers used VR to understand how common medications work on a molecular level. Many ...

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Their synthetic azetidines could help simplify drug design for neurological diseases

13-Aug-2019

Rice University chemists want to make a point: Nitrogen atoms are for squares. The nitrogens are the point. The squares are the frames that carry them. These molecules are called azetidines, and they can be used as building blocks in drug design. The Rice lab of chemist László Kürti introduced ...

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Generative modelling AI technology enables rapid and cost-effective design of novel drugs

15-Mar-2019

Merck announced a collaboration agreement with Iktos, for the use of its generative modelling artificial intelligence (AI) technology, in order to facilitate the rapid and cost-effective discovery and design of promising new compounds. “This agreement is another illustration of how we aim to ...

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21-Jan-2019

Routes to making life-saving medications and other pharmaceutical compounds are among the most carefully protected trade secrets in global industry. Building on recent work programming computers to identify synthetic pathways leading to pharmaceutically complex molecules, researchers in Poland ...

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12-Apr-2018

Researchers have discovered a new class of drug that has the potential to help cancer patients who no longer respond to existing therapies. The drug may not become available to patients for a number of years yet, but researchers believe that if clinical trials are successful, it could be used to ...

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18-Oct-2017

Scientists at the Department of Energy's Oak Ridge National Laboratory have performed neutron structural analysis of a vitamin B6-dependent protein, potentially opening avenues for new antibiotics and drugs to battle diseases such as drug-resistant tuberculosis, malaria and ...

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16-Oct-2017

A team of researchers from Instituto de Medicina Molecular (iMM) Lisboa successfully used a pioneer method to chemically modify a protein's components with potential medical applications and an impact in the fight against tuberculosis. To design novel drugs it is essential to understand the ...

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