Articles tagged with Drug Design
Researchers developed an AI-based screening method that models drug and target protein interactions using natural language processing techniques. The technique achieved high accuracy in identifying promising drug candidates, which can accelerate the exploration of new medicines and repurpose existing ones.
Using artificial intelligence, researchers from Tufts University have devised rules for faster and more effective identification of potential new drug cocktails against tuberculosis. The study developed a set of design principles to assemble drug combinations, reducing the amount of testing needed before moving to further study.
A University of the Basque Country team has successfully produced starch-based pharmaceutical tablets using 3D printing technology. The tablets display varying release properties depending on the type of starch used, offering promising solutions for personalized medicine and tailored drug delivery.
The study found that metformin lowers the odds of emergency department visits, hospitalizations, or death due to COVID-19 by over 40 percent. Metformin also showed a significant reduction in serious outcomes when prescribed early in the onset of symptoms.
Researchers used x-ray crystallography to study the main protease of SARS-CoV-2 at various temperatures, revealing subtle conformational changes and potential targets for drug design. These findings may inspire the development of new antiviral drugs to counteract COVID-19 and prevent future pandemics.
A new study uses a biomimetic in-silico simulator to investigate the effect of body posture and stomach motility on oral drug bioavailability. The simulation reveals that stomach contractions can induce pressure, generating complex pill trajectories and affecting drug dissolution rates.
The new approach enables chemists to synthesize novel, potentially pharmaceutically relevant structures that were previously difficult to synthesize. The techniques employ directing templates that efficiently direct CH functionalization at desired sites.
Researchers from the University of Tokyo have identified the Wnt6 morphogen as a crucial regulator of heart development in vertebrates. The study used mathematical modeling and experiments to understand how Wnt6 morphogen distribution is regulated, with potential implications for drug design and tissue repair.
The research team will analyze the remaining two enzymes necessary for riboflavin production and build a 'riboflavinator' in a test tube. This understanding could lead to improved methods for treating diseases and improving public health.
A team of MIT engineers and collaborators have devised a way to overcome the foreign body response, forming a thick layer of scar tissue that blocks insulin release. The device is repeatedly inflated and deflated for five minutes every 12 hours, preventing immune cells from accumulating around it.
Researchers at Nanyang Technological University in Singapore have developed a series of chemical-based compounds that could be potential drug candidates for treating pulmonary tuberculosis. The compounds were licensed by US-based Neuro-Horizon Pharma LLC for commercialization.
Researchers developed a mathematical model to predict the efficiency of nanoparticle delivery into cells, particularly in stem cells. They found that nanoparticles become trapped in bubble-like vesicles, preventing them from reaching their targets.
MIT researchers create microparticles that release their payload at different times, enabling self-boosting vaccines. The particles degrade over time and break down once released, allowing for potential use in regions with limited access to medical care.
Researchers at University of Essex found no benefit from oxytocin administration on healthy men's ability to recognize emotions. Computer-based emotional training programs proved more effective in improving emotion recognition and mental health.
Researchers at Aarhus University have developed an easy and inexpensive method for linking molecules to DNA sequences with desired functions. The method uses sulfonyl azides to introduce various functionalities, avoiding the need for expensive and unstable special phosphoramidites.
Researchers at Karolinska Institutet have improved the ability of a protein to repair oxidative DNA damage, creating a new drug development concept. The technique can lead to improved treatments for diseases involving oxidative stress.
Researchers at Rice University have developed a chemical process that can add two distinct functional groups to single alkenes, a breakthrough in drug design and materials science. The process uses manganese catalysts and photocalysts to enable radical ligand transfer, allowing for the creation of unique molecules.
Researchers at Chalmers University of Technology have developed a groundbreaking microscopy technique that allows for the study of proteins, DNA, and other biological particles in their natural state. This innovation enables earlier detection of promising drug candidates and provides valuable insights into cell communication processes.
Researchers have identified glycans in mucus that can prevent Candida albicans from causing infection. These molecules can be used to develop new antifungal medicines or make disease-causing fungus more susceptible to existing drugs.
A team of researchers from Waseda University developed a novel solution to efficiently solve complex optimization problems using Ising machines. Their hybrid algorithm reduces residual energy and reaches more optimal results in shorter time, increasing the machine's applicability across industries and sustainability practices.
The UK's Joint Committee on Vaccination and Immunisation advises that COVID vaccines should be offered to 5–11-year-old children, but deem immunization as non-essential. Dr Hamid Merchant explains why current vaccines are not suitable for children due to efficacy and safety concerns.
A global effort has been launched to create a digital twin of the human immune system, inspired by the COVID-19 pandemic. This 'digital twin' could enable precision medicine for various ailments, including cancer and autoimmune diseases.
A Texas A&M AgriLife team has described several protein structures of the C1 domain of protein kinase C, providing a reliable guide for designing drug candidates. The research sheds light on how C1 domains bind ligands and could lead to new treatments for diseases such as Alzheimer's, AIDS, and cancer.
This study analyzed supportive evidence for FDA approvals of 49 novel drugs in 2020. The study's findings provide insight into the key design characteristics of pivotal trials supporting these drug approvals.
A global study found a combination of two drugs dramatically reduces the chances of suffering an asthma attack. The combination of albuterol and budesonide lowers the number of sudden episodes of shortness of breath, wheezing, and coughing in patients.
Researchers found that targeting both tumor and lymph node microenvironments with nanomedicine improves treatment response for metastatic triple negative breast cancer. Long-term tumor remission was achieved in mice models using nanoparticles to deliver immune-modulating drugs.
Researchers developed a deep learning-based model to predict drug-drug interactions using gene expression data. The DeSIDE-DDI model can identify potentially dangerous pairs and act as a drug safety monitoring system, helping establish the correct usage of drugs in the development phase.
Researchers at Arizona State University have developed a new technique called evanescent scattering microscopy (ESM), which allows for the visualization of proteins and other vital biomolecules with unparalleled clarity. This label-free imaging method reduces light-induced heating and requires no fluorescent dye or gold coating, making...
Researchers at Aarhus University have developed improved DNA nanostructures that can assemble biomolecules with multiple functions, increasing the effectiveness of cancer treatment. The new structures are more stable, non-toxic, and immune system-friendly than previous versions.
Researchers at Tokyo University of Science discovered that disulfiram inhibits FROUNT protein and chemokine signaling pathways, reducing anxiety levels in mice. The study suggests a potential breakthrough anti-anxiety medication with safe and effective treatment for elderly patients suffering from anxiety and insomnia.
Researchers from Trinity College Dublin have discovered how SARS and MERS coronaviruses block the induction of antiviral proteins, preventing a strong immune response. This finding has potential implications for developing new therapeutic options to treat COVID-19 and future deadly coronaviruses.
Scientists have identified a potential new antibiotic candidate from the rare soil microbe Lentzea flaviverrucosa. The discovery was made using genomics-based approaches and shows that this actinomycete produces two different bioactive molecules that are active against various types of cancer cells.
Researchers developed innovative smart sensors to test new vaccines, revealing significant discrepancies between subjective self-reports and objective measurements. The study found that side effects escalate over the first 48 hours and then stabilize, with parameters returning to pre-vaccination levels.
Researchers have developed a method to chart the first-ever map of allosteric sites in two common human proteins, revealing they are abundant and identifiable. This could lead to safer, smarter, and more effective medicines by targeting these 'secret doors'.
Researchers at the University of Illinois Chicago have identified two distinct subtypes of neutrophils, with one subtype being a drug target for treating inflammatory diseases. The discovery paves the way for more targeted therapies that address chronic inflammation without suppressing anti-infection functions.
Vupanorsen, an experimental drug targeting non-HDL cholesterol, showed modest reductions in Non-HDL cholesterol by up to 28%, triglycerides by up to 57%, and angiopoietin-like 3 (ANGPTL3) levels by up to 95% in patients with high cholesterol.
Researchers have identified formononetin as a potential therapeutic for treating food allergies, which affect nearly 10% of the world population. The plant compound has been shown to decrease IgE production and influence gene and protein targets regulated in food allergy and mast cell diseases.
Researchers have engineered probiotic bacteria to produce the dopamine precursor L-DOPA, a potential treatment for Parkinson's disease. The new approach eliminates side effects and reduces treatment complications, offering a promising alternative to existing treatments.
The study reveals the structure of D13 and its role in assembling into a protein scaffold, which is critical for virus replication. The researchers discovered two ways the proteins interact to form a spherical honeycomb lattice, with a small helix structure playing a key role in assembly.
A team of biochemists at the University of Groningen discovered that membrane thickness, lipid phase, and sterol type are key factors in determining permeability. This knowledge can help companies optimize microbial production and improve drug design.
A multicenter study found mutations in the SARS-CoV-2 N protein associated with increased viral loads and severe disease symptoms. The changes enabled the virus to hijack host cell translation machinery, leading to a life-threatening cytokine storm.
A team of scientists created a powerful new method for generating protein drugs by designing molecules that can target important proteins in the body. The research yielded candidate medicines for cancer, diabetes, infection, inflammation, and beyond, offering a paradigm shift in drug development.
The Experimental Biology (EB) 2022 meeting features live presentations and a moderated Q&A session on groundbreaking studies. The virtual press conference reveals potential treatments for Parkinson's disease, COVID-19 vaccine-associated side effects, and alleviating food allergies.
Researchers discovered a new venom compound in deep-water cone snails, similar to the hormone somatostatin, with possible pharmaceutical applications for treating chronic pain and other human maladies. The study highlights the rich biochemical diversity of animal venoms and the need to explore new compounds.
Researchers have discovered a streamlined method for synthesizing novel neuroactive compounds found in the bark of Galbulimima trees, which may lead to new psychiatric and neurological drugs. The new approach enables easy synthesis at scale, paving the way for further study of these compounds' biological effects.
Researchers have designed a fast-acting injectable insulin based on the venom of the Conus kinoshitai marine snail, which doesn't form clusters like human insulin. The new hybrid insulin holds promise for better diabetes control with faster action and reduced clustering.
Researchers at the University of Bath have developed a new coating method for soft robots that allows them to change shape and movement through human-controlled activity. This breakthrough in active matter could lead to the creation of machines governed by individual units that cooperate to determine movement and function.
A UC Riverside-led team developed a theory and performed simulations to understand how viruses package their genetic material. The research reveals that capsid proteins are inclined to form shells around viral RNAs due to lower stress distribution, which can aid in designing nanocontainers for drug delivery.
Researchers from CCDC, Exscientia, and Oxford University have developed an automated method for informing the design of compound selectivity across protein families. The 'Hotspot API' uses ensemble hotspot maps to quantify the propensity for compounds to exploit interactions in preferred binding sites.
A new form of drug delivery microparticle mimics the properties of a red blood cell, enabling controlled release of drugs and targeting specific destinations. The goal is to bypass the body's filtration systems, allowing for improved efficacy and reduced negative side effects.
Pharmaceutical firms are working towards using machine learning to analyze vast stores of data, developing models that evolve and improve as the data are processed. However, experts agree that a fully functional end-to-end approach is still a ways off due to biology's complexity.
A recent study has shed light on the protein structure that helps bacteria pump toxic molecules out of their cells, contributing to drug resistance. The researchers found that as a pH change occurs, the protein's channel opens and closes in a specific way, allowing the transport of toxic compounds.
Codiak BioSciences' exoASO-STAT6 demonstrates potent anti-tumor efficacy by reprogramming tumor-associated macrophages to an M1 phenotype, showing promise as a monotherapy candidate for hepatocellular carcinomas and other cancers. The company plans to initiate Phase 1 clinical trials in the first half of 2022.
Researchers discovered how a single mutation in an enzyme enables bacteria to evade antibiotics by using mirrored structures. This finding has implications for developing more resilient inhibitors and proactive drug designs.
Recent advances in AI for drug design have shown promising results, but further improvement is needed to translate early successes into effective drugs. Active learning and explainable AI hold the key to harnessing data value and designing correct molecules.
Researchers have solved atomic-level structures of the muscle-type nicotinic acetylcholine receptor, a crucial step in understanding its function. The new findings could lead to breakthroughs in treating neurological disorders such as congenital myasthenic syndrome and myasthenia gravis.
Researchers at NTU Singapore have developed a new method to generate sulphur pharmacophores, which are crucial for drug discovery. The method uses a catalyst called pentanidium and can produce multiple variations of pharmacophores, making the process more efficient and fruitful.
Scientists at Stanford University and SLAC National Accelerator Laboratory have created a molecular cage to study the structure of KIX, a protein used by AML cancer cells. The technique has successfully imaged KIX with cryo-EM, revealing new insights into its function and potential targets for therapy.
Researchers at Uppsala University have designed a molecule that inhibits the replication of coronaviruses, including the new variant, with great potential for developing an antiviral drug. The molecule has been shown to be effective against both old and new variants, offering hope for treatment options.
Researchers have developed a method to assess drug potential for rare disorders by profiling FDA-approved drugs. The study identified NMD modulators that could potentially treat hundreds of disorders associated with nonsense-mediated RNA decay.