Articles tagged with Drug Design
A review on Urotensin II has shown its ability to modulate biologic activities in the cardiovascular system, kidneys, and central nervous system. The peptide can constrict and dilate blood vessels, making it a promising candidate for treating various cardiovascular diseases.
A team of researchers at Georgia State University has made groundbreaking discoveries in the tryptophan kynurenine pathway, a metabolic pathway linked to psychiatric and neurodegenerative disorders. The study reveals an unexpected enzymatic activity that could lead to new drug design for these diseases.
Duke University researchers develop software to predict genetic changes in bacteria that will allow it to evade new experimental drugs. The team successfully identified four mutations that would confer resistance, with over half of surviving colonies carrying the predicted mutation.
Researchers developed a predictive model associating chemical fragments with positive or negative effects in 20% of human diseases. The analysis of 10,000 chemical molecules revealed new knowledge on safer drug design and potential uses for current drugs.
Researchers have discovered that blocking blood-brain barrier proteins increases riluzole's effectiveness in treating ALS. The study found improved muscle function and prolonged survival in mice with blocked barriers.
A study found that pharmaceutical companies failed to comply with FDA recommendations for pivotal drug study design and primary outcomes in nearly a quarter of cases. The researchers suggested that mandatory FDA review of pivotal trial protocols could optimize study quality.
Researchers have developed a computational model to design fusion proteins that target cancer cells while minimizing harm to healthy cells. The model predicts the behavior of these proteins and can help identify promising candidates for drug testing.
A new computational model helps researchers rationally design and select protein molecules to create effective biologic drug therapies with reduced side effects. The model reveals that the length of a DNA linker influences how well fusion protein components attach to their intended receptors.
Scientists at the University of Southampton have identified key characteristics that enhance a nanoparticle's ability to penetrate skin. Researchers found that positively charged nanorod-shaped nanoparticles are up to ten times more effective in penetrating skin than others, with cell penetrating peptides further enhancing penetration.
Researchers have discovered an enzyme that can be targeted to kill parasites causing deadly diseases such as sleeping sickness and Chagas disease. The study found that a small sugar molecule activates the enzyme, providing an opportunity to design drugs that block its activity in specific species.
Researchers have found that ATF4 levels are elevated in livers of mice exposed to interventions increasing longevity. The protein is shared across diets, drugs, genes, and developmental alterations extending lifespan.
The Rett Syndrome Association of Massachusetts has donated $150,000 to support a Rettsyndrome.org approved grant to Dr. Michela Fagiolini's project at the Boston Children's Hospital. The goal is to assess NMDA receptor modulators for potential treatments in girls diagnosed with Rett syndrome.
Researchers at Johns Hopkins University deciphered the inner workings of YiiP, a protein that prevents zinc toxicity in bacteria. The study reveals how protons drive the transport of zinc ions across cell membranes, shedding light on potential targets for modulating ZnT proteins and treating type 2 diabetes.
University of Chicago scientists have developed new multiscale simulations that reveal the proton permeation mechanism in influenza A, a crucial step in viral replication. This breakthrough could lead to the development of more effective and targeted treatments against the flu.
University of Houston pharmacy students earned statewide awards for excellence in leadership, professional service and clinical skills. Two teams won the second- and fourth-year Pharmacy Doctorate student divisions in the clinical skills competition.
Researchers will investigate alternative binding sites for existing diabetes medications, aiming to design more effective and safer treatments. The new grant will aid in the development of better drug models to improve glucose uptake by cells.
A study published in Journal of the American Medical Informatics Association found that redesigned electronic medication alerts reduced prescribing errors and increased efficiency among healthcare providers. The redesign incorporated concise language, a table-like format, and presented more detail to help providers scan for information...
New research warns Canadians about the deadly risks of designer drug use, citing 10 new drugs per year and toxic contaminants like PMA. Experts call for education to help people understand the health risks, emphasizing that there is no safe dose of ecstasy.
Researchers at SDSC developed software for multi-scale QM/MM simulations, expanding types of simulations that scientists can use to design new drugs and chemicals. The software integrates with AMBER molecular simulation package, reaching a large user base.
Researchers at the University of Bristol and EMBL have identified the 'holo-translocon' as the machinery responsible for inserting proteins into cell membranes. This breakthrough could lead to the design of new anti-bacterial drugs and applications in synthetic biology.
Lactate triggers the release of noradrenaline, a hormone fundamental to brain function, via an unknown receptor. This discovery opens new avenues for pharmacology and could lead to novel treatments for conditions like stress, pain and depression.
A study examines reasons for delay and denial of new drugs by the FDA, finding that preventable deficiencies in clinical trials account for significant delays. The study highlights the need for early dialogue between the FDA and drug sponsors to improve drug development strategies.
Researchers at Stanford and Google have successfully simulated the transformation of a key drug receptor site using Google Exacycle's cloud computing platform. The simulation revealed thousands of possible configurations, providing scientists with a better jumping-off point for computational drug design.
Researchers devised a mathematical model to improve treatment options for coronary heart disease (CHD), which accounts for 18% of US deaths annually. The model helps explain the factors governing drug release and distribution in drug-eluting stents, providing valuable insight into developing better treatments.
Scientists have discovered the detailed molecular dance of a membrane transporter, revealing new insights into multi-drug resistant cancers. The study's findings provide a more complete picture of how transporters work, including their movements and interactions with surrounding molecules.
Researchers at the Salk Institute created a new approach to determine the structure of key cellular receptors using artificial amino acids, revealing crucial details about their binding pockets. This breakthrough could aid in designing drugs that target diseases such as diabetes and osteoporosis.
A team of scientists at the University of California, San Francisco has identified a previously unknown pocket on the K-Ras protein that can be targeted by a new compound. This compound inhibits only mutant K-Ras and leaves normal protein untouched, offering real translational implications for cancer patients.
Researchers at San Francisco State University use mathematical analysis to model the separation of bacterial chromosomes, revealing a stepwise process. This study could lead to the design of better antibacterial drugs and a deeper understanding of DNA topology.
A team of UAlberta medical researchers has developed a potential new treatment for atrial fibrillation, a common heart rhythm problem affecting 1 in 200 people. The new drug, based on the resveratrol compound found in red wine and nuts, regulates electrical activity in the heart and reduces abnormal heart-rhythm episodes.
Researchers at Scripps Research Institute discovered that an essential protein evolved chiefly by changing its movement, rather than structure. This finding has implications for designing more effective antibiotics and drugs targeting the protein dihydrofolate reductase.
Researchers have identified exactly how propofol interacts with brain cells to achieve a pain-free state. The study's findings may help design new versions of the drug that reduce risks and improve patient safety. By understanding how propofol works, scientists can develop alternative anesthetics with fewer side effects.
Researchers at the University of Minnesota Academic Health Center have developed a new delivery system for a combination of two FDA-approved drugs that may serve as an effective treatment for HIV. The discovery allows for a pill-form combination of decitabine and gemcitabine, marking a major step forward in patient feasibility.
Scientists at McGill University have identified a unique 'on/off' switch for a major neurotransmitter receptor in the brain, known as the kainate receptor. This discovery highlights a new target for drug development to treat diseases such as epilepsy and neuropathic pain.
A recent neutron study has revealed that HIV inhibitors have only two strong hydrogen bonds, presenting opportunities for improvement through structural changes and strengthening the binding. This discovery may also help address drug resistance by increasing the effectiveness of drugs and reducing dosages.
Researchers at Columbia University Medical Center created DNA nanorobots that can identify and tag specific human cells based on multiple surface proteins. This allows for precise targeting of cancer cells with minimal impact on healthy cells, potentially revolutionizing cancer treatment.
Scientists discovered that enterocytes play a significant role in absorbing relatively large particles, challenging conventional wisdom and offering new avenues for increasing the absorption of medicines taken by mouth. The study found that between 10-50% of spheres were absorbed via endocytosis in cells called enterocytes.
Researchers have discovered that protein surface defects, called dehydrons, allow water molecules to become unstable and easily expelled. This finding provides a novel strategy for designing drug candidates that can dislodge these water molecules upon association with the protein.
Researchers at IRB Barcelona have successfully synthesized a marine compound, baringolin, which shows promising antibiotic activity at low concentrations. The team aims to improve its solubility and design more active analogues to develop a viable drug in the next 10 years.
Researchers at Rice University have developed a computational method to tailor the properties of zeolites, a crucial step in producing industrial minerals. The method uses organic structure directing agents (OSDAs) to guide the growth of zeolite crystals and can potentially produce new types of zeolites.
Designer stimulants, packaged as 'bath salts' or household products, have become a growing concern in the US, with reports of agitation, fast heart rates, and violent behavior. Research suggests that these substances can be deadly, with no formal guidelines for medical treatment of acute toxicity.
Researchers at UC Davis have discovered a novel molecular target, TSPO, to design safer and more effective drugs for multiple sclerosis (MS) and other conditions. The study found that anti-anxiety drug etifoxine interacts with TSPO to improve MS symptoms in lab mice models.
A recent study reveals that a protein in our cells, responsible for transporting vital substances, also enables bacterial cells to develop resistance to antibiotics. This mechanism is linked to the development of antibiotic resistance and cancer drug resistance, highlighting the need for new therapeutic strategies.
A recent IRB study published in Chemistry and Biology has identified 1,162 side effects caused by drugs, with molecular descriptions for 446 cases explained solely by biology and 68 by chemistry. The research provides a list of
Researchers have developed antiviral drugs for other enteroviruses that cause the common cold. The new work obtained a near-atomic-scale resolution three-dimensional structure of enterovirus 71 binding with an inhibitor called WIN 51711. This study provides a structural basis for development of antienterovirus 71 capsid-binding drugs.
Researchers have developed a new antiviral drug that prevents flu viruses from removing sugars on cell surfaces, blocking infection. The drug is effective against resistant strains and may also protect against future variants.
A new Pitt study found that generic drug coverage is cost-effective compared to no coverage for schizophrenia and bipolar disorder. Generic coverage improved health outcomes and reduced medical costs, with savings of $570-$1,312 per year.
The study demonstrates that EBI-005 binds to its target, IL-1R1, 85-fold more tightly than IL-Ra, providing a 100-fold increase in potency in vivo. Additionally, EBI-005 has been shown to be more thermally stable than IL-1Ra, indicating potential for a room temperature-stable product.
Scientists have developed a way to create designer drugs that target multiple proteins simultaneously, potentially treating complex diseases like diabetes and schizophrenia. The new approach uses computational chemistry and experimental testing to validate drug compounds, showing promise for developing effective treatments.
A team of researchers at the University of Dundee has developed an automated design system for new drugs, using advanced statistical analysis to mimic human chemists' creative process. The system successfully predicted profiles across a range of drug targets, with 75% confirmed correct in experimental testing.
A study by Nationwide Children's Hospital identified alpha arrestins as crucial regulators of G-protein coupled receptor signaling. Targeting these proteins could lead to more effective and side-effect-free drugs, potentially revolutionizing the pharmaceutical industry.
Researchers at the University of Minnesota's Center for Drug Design developed a synthetic compound, psi-GSH, that prevents neurodegeneration associated with Alzheimer's disease in a mouse model. The compound enables the brain to use its own protective enzyme system against the disease process.
A novel 90-day intravaginal ring has been developed to deliver tenofovir, the only topical prophylactic shown to reduce HIV transmission, for up to 90 days. The ring overcomes limitations of standard technology and can be modified to deliver multiple drugs.
AAPS honors top scientists in pharmaceutical sciences, recognizing their contributions to drug development, nanotechnology, and education. The awards celebrate innovative research on cell interactions with drugs and cancer treatment.
The American Association of Pharmaceutical Scientists (AAPS) has announced its 2012 Fellows, recognizing individuals for their outstanding contributions to the field. Alekha K. Dash and Glen S. Kwon are among those recognized for their research in novel drug delivery systems and cancer treatment.
A new model explains dopamine's direct and indirect role in modulating the immune system. Recent research has opened up possibilities for treating diseases such as Parkinson's and Alzheimer's disease, schizophrenia, multiple sclerosis, or autoimmune disorders.
A new mathematical model developed by Harvard scientists helps predict the likelihood of drug resistance in HIV patients, enabling the design of more effective treatment cocktails. The model uses data from clinical trials to simulate patient responses to varying drug dosages, providing a valuable tool for researchers and clinicians.
Researchers at the University of Liverpool have developed novel compounds targeting the glycine receptor to treat chronic pain without sedative effects. The project aims to create a safe and effective oral tablet, addressing a huge unmet medical need for 20% of adults in Europe and the US.
Researchers have discovered a new compound with significantly higher anti-HIV activity and improved binding affinity to the CXCR4 receptor. This breakthrough has potential for developing new, more effective drugs against HIV-1 infections and related diseases.
Researchers demonstrate a minimally-invasive method to deliver drugs and particles to the eye's suprachoroidal space, targeting diseases like macular degeneration. The technique has the potential to reduce side effects and improve treatment outcomes for chronic eye diseases.
A new approach to drug design, called the magic shotgun method, promises to help identify future cancer drugs that are more effective and have fewer side effects. This approach sifting through the known universe of chemicals to find special molecules that broadly disrupt the whole disease process.