Articles tagged with Drug Design
A new generation of anti-cancer drugs is being designed with an agent to inhibit resistance to their effectiveness. The research identified a specific mechanism to target drug pumps in cancer cells, leading to more effective treatment options. This breakthrough could improve outcomes for patients with therapy-resistant cancers.
Researchers have developed a computer program that predicts pharmaceutical side effects, outperforming earlier software in accuracy. The system assesses drug molecules and identifies potential side effects using an ensemble approach, demonstrating its effectiveness in flagging adverse reactions.
Researchers have identified the three-dimensional structure of a hantavirus protein, providing a promising model for developing drugs against the disease. The protein's circular complexes may play a role in inhibiting viral growth, making it an ideal target for future treatments.
Dr. Heidi M. Mansour investigates and designs innovative treatments, including new drugs and advanced delivery mechanisms, to treat unmet medical needs in lung diseases such as COPD, asthma, and cystic fibrosis. Her goal is to see these dry powder inhalers end up on pharmacy shelves, helping patients live better lives.
Researchers have provided a molecular blueprint of Globomycin, an antibacterial candidate with promise in stemming the post-antibiotic tide. The blueprint may aid the design of better globomycin analogues and explore thousands of new antibiotic solutions to common infections.
Researchers develop vaccine to prevent fentanyl overdose and addiction by targeting its molecular structure, which can be tailored to neutralize various variants of the drug. Successful preclinical tests show the vaccine protects against lethal doses of fentanyl, providing new hope in combating the opioid crisis.
A team from the University of Leicester has published a detailed description of the protein Sam68 linked to many types of cancer. The high-resolution structure provides an opportunity for scientists to develop drugs targeting this protein.
Researchers developed a novel liquid salt formulation of propranolol for transdermal delivery, reducing skin toxicity. The formulation uses counter ions to shield drug charge, increasing therapeutic efficacy while minimizing side effects.
SLU scientist John Tavis has received a $2.2 million NIH grant to develop a cure for the hepatitis B virus. His team aims to create a combination therapy that can kill the virus, which causes chronic infection and liver damage in millions of people worldwide.
Researchers used designer neural receptors to suppress cravings in rats by activating a specific brain region. The study's findings may help scientists develop new treatments for addiction and overeating by stripping away value from reward-paired cues.
Researchers have developed a computational method to predict protein dynamics based on co-evolutionary studies, which explains changes in shape or structure to interact with other compounds. This study is crucial for designing drugs and researching genetic diseases like cancer, resulting in higher complexity than current methods.
The COMPASS method uses a combination of molecular spectroscopy techniques, predictive protein-folding algorithms, and image recognition software to determine a protein's likely structure. The approach has been successfully applied to 15 proteins and holds promise for studying complex protein structures that have eluded researchers.
Researchers identify Sestrin2 as a highly specific leucine sensor that activates the mTORC1 pathway upon binding, promoting cell growth. The discovery suggests potential therapeutic applications for treating diseases such as aging, muscle atrophy, and insulin-related disorders.
Researchers at the University of Pennsylvania School of Medicine identified a previously unknown genomic landscape in Sezary syndrome, a rare and aggressive leukemia. The study reveals recurrent loss-of-function mutations in genes regulating epigenetic pathways, including ARID1A, which occurred in over 40% of the genome studied.
A new chemical process developed by WPI's Marion Emmert may significantly improve pharmaceuticals' ability to bind with biological targets, producing therapeutic effects. The team aims to streamline production of existing drugs like Asacol, shortening its manufacturing time.
Researchers uncover structural details of how proteins interact to turn two signals into one, enabling fine-tuning of signal and drug action. The study provides crucial insights into nuclear receptor communication, paving the way for improved drug design.
Researchers found that activating Nurr1, a class of proteins in the brain, protects dopamine neurons and improves motor control. The study suggests that existing anti-malaria drugs could be repurposed to treat Parkinson's disease.
New research finds that equipping law enforcement officers with naloxone does not raise their risk of legal liability. The study concludes that officers should be authorized to administer naloxone to reduce opioid-related deaths and increase overdose rescue times.
UC Davis researchers identified molecular interactions between capsaicin and the TRPV1 receptor, paving the way for more selective and effective pain relief drugs. The study found that sweet peppers contain a compound called capsiate, which is almost identical to capsaicin but differs at one key interaction site.
Scientists at the University of Eastern Finland have identified two separate sites on the protein NOS1AP that can be blocked to reduce damaging signals caused by NOS-1 in brain cells. This breakthrough could lead to the development of new drugs for neurological diseases such as stroke, chronic pain, depression, and anxiety disorders.
Tel Aviv University researchers have engineered membranes that can crystallize at a specific time, revolutionizing drug delivery. The breakthrough enables the precise and effective release of drugs at targeted biological locations in the body.
A new x-ray study reveals how a hypertension drug binds to a cellular receptor, providing valuable insights for designing more effective medications. The research could lead to the development of targeted drugs with fewer side effects.
Researchers at Penn Medicine have discovered a new class of receptors that ketamine binds to, which may underlie its diverse effects. This finding opens the door for designing drugs that interact specifically with these receptors, potentially leading to more targeted treatments.
A study published in the Journal of Patient Safety found that redesigned IV medication labels can significantly reduce the risk of medication errors in the operating room. The research used simulated surgical emergency scenarios and showed a higher correct selection rate with redesigned labels compared to standard labels.
Abl and Src proteins have distinct evolutionary paths, allowing Brandeis researchers to pinpoint specificity for Gleevec. Their findings pave the way for rational drug design in various cancers.
The Dartmouth team created a systematic testing platform to analyze deimmunized protein design space. Their analysis revealed that experimentally measured molecular fitness mapped closely onto the computational design space for 18 deimmunized drug candidates, demonstrating potential to predict and design tradeoffs between immunogenicit...
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 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.
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.
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.
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.
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.
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.
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.
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.
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.