Articles tagged with Drug Design
Comprehensive exploration of living organisms, biological systems, and life processes across all scales from molecules to ecosystems. Encompasses cutting-edge research in biology, genetics, molecular biology, ecology, biochemistry, microbiology, botany, zoology, evolutionary biology, genomics, and biotechnology. Investigates cellular mechanisms, organism development, genetic inheritance, biodiversity conservation, metabolic processes, protein synthesis, DNA sequencing, CRISPR gene editing, stem cell research, and the fundamental principles governing all forms of life on Earth.
Comprehensive medical research, clinical studies, and healthcare sciences focused on disease prevention, diagnosis, and treatment. Encompasses clinical medicine, public health, pharmacology, epidemiology, medical specialties, disease mechanisms, therapeutic interventions, healthcare innovation, precision medicine, telemedicine, medical devices, drug development, clinical trials, patient care, mental health, nutrition science, health policy, and the application of medical science to improve human health, wellbeing, and quality of life across diverse populations.
Comprehensive investigation of human society, behavior, relationships, and social structures through systematic research and analysis. Encompasses psychology, sociology, anthropology, economics, political science, linguistics, education, demography, communications, and social research methodologies. Examines human cognition, social interactions, cultural phenomena, economic systems, political institutions, language and communication, educational processes, population dynamics, and the complex social, cultural, economic, and political forces shaping human societies, communities, and civilizations throughout history and across the contemporary world.
Fundamental study of the non-living natural world, matter, energy, and physical phenomena governing the universe. Encompasses physics, chemistry, earth sciences, atmospheric sciences, oceanography, materials science, and the investigation of physical laws, chemical reactions, geological processes, climate systems, and planetary dynamics. Explores everything from subatomic particles and quantum mechanics to planetary systems and cosmic phenomena, including energy transformations, molecular interactions, elemental properties, weather patterns, tectonic activity, and the fundamental forces and principles underlying the physical nature of reality.
Practical application of scientific knowledge and engineering principles to solve real-world problems and develop innovative technologies. Encompasses all engineering disciplines, technology development, computer science, artificial intelligence, environmental sciences, agriculture, materials applications, energy systems, and industrial innovation. Bridges theoretical research with tangible solutions for infrastructure, manufacturing, computing, communications, transportation, construction, sustainable development, and emerging technologies that advance human capabilities, improve quality of life, and address societal challenges through scientific innovation and technological progress.
Study of the practice, culture, infrastructure, and social dimensions of science itself. Addresses how science is conducted, organized, communicated, and integrated into society. Encompasses research funding mechanisms, scientific publishing systems, peer review processes, academic ethics, science policy, research institutions, scientific collaboration networks, science education, career development, research programs, scientific methods, science communication, and the sociology of scientific discovery. Examines the human, institutional, and cultural aspects of scientific enterprise, knowledge production, and the translation of research into societal benefit.
Comprehensive study of the universe beyond Earth, encompassing celestial objects, cosmic phenomena, and space exploration. Includes astronomy, astrophysics, planetary science, cosmology, space physics, astrobiology, and space technology. Investigates stars, galaxies, planets, moons, asteroids, comets, black holes, nebulae, exoplanets, dark matter, dark energy, cosmic microwave background, stellar evolution, planetary formation, space weather, solar system dynamics, the search for extraterrestrial life, and humanity's efforts to explore, understand, and unlock the mysteries of the cosmos through observation, theory, and space missions.
Comprehensive examination of tools, techniques, methodologies, and approaches used across scientific disciplines to conduct research, collect data, and analyze results. Encompasses experimental procedures, analytical methods, measurement techniques, instrumentation, imaging technologies, spectroscopic methods, laboratory protocols, observational studies, statistical analysis, computational methods, data visualization, quality control, and methodological innovations. Addresses the practical techniques and theoretical frameworks enabling scientists to investigate phenomena, test hypotheses, gather evidence, ensure reproducibility, and generate reliable knowledge through systematic, rigorous investigation across all areas of scientific inquiry.
Study of abstract structures, patterns, quantities, relationships, and logical reasoning through pure and applied mathematical disciplines. Encompasses algebra, calculus, geometry, topology, number theory, analysis, discrete mathematics, mathematical logic, set theory, probability, statistics, and computational mathematics. Investigates mathematical structures, theorems, proofs, algorithms, functions, equations, and the rigorous logical frameworks underlying quantitative reasoning. Provides the foundational language and tools for all scientific fields, enabling precise description of natural phenomena, modeling of complex systems, and the development of technologies across physics, engineering, computer science, economics, and all quantitative sciences.
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.
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.