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.
University of North Carolina at Chapel Hill researchers have developed a new drug delivery platform that harnesses helical amyloid fibers designed to untwist and release drugs in response to body temperatures. This discovery could be useful in treatment to reverse Alzheimer’s Disease impact by degrading amyloid plaques.
Researchers have developed a new class of antibiotics that can overcome drug-resistant bacteria by targeting the physical and functional integrity of the bacterial cell wall. This could be a game-changer in treating infections, particularly those caused by resistant strains.
Scientists from IOCB Prague have developed a universal and accurate new computational method to predict how proteins interact with drugs. The SQM2.20 scoring function yields DFT-quality predictions in minutes, significantly accelerating drug discovery.
Scientists have developed a cage-like molecule to trap sulfate in water, which could help control its concentration in health, industry, and environmental management. The molecular trap can be prepared inexpensively from off-the-shelf chemicals and has potential applications in medicine, such as treating cystic fibrosis.
Scientists at the University of California, Riverside, have identified 898 RNA-dependent proteins in the deadliest human malaria parasite, Plasmodium falciparum. These findings could lead to novel therapeutic targets against malaria and highlight the importance of RNAs in biological pathways in the parasite.
Researchers develop nanovector nanogels that selectively target glial cells involved in spinal cord injury inflammation, reducing damage and improving recovery. The treatment demonstrates potential for modulating glial cells in neurodegenerative diseases like Alzheimer's.
Chemical simulations can be sped up by resetting them, a new study from Tel Aviv University found. This technique, called stochastic resetting, overcomes the timescale problem, allowing for more accurate predictions of slow processes.
Researchers have created a genAI model called 'drugAI' that can generate unique molecular structures for potential drugs with high binding affinity and efficacy. The model outperforms traditional methods in terms of speed and cost, opening up new possibilities for disease treatment.
A new study published in the American Heart Association journal Hypertension found that tirzepatide significantly lowered systolic blood pressure levels in nearly 500 adults with obesity. The results suggest treating obesity with this weight loss medication may be an effective strategy for preventing or treating high blood pressure.
Researchers discovered that reducing cholesterol levels in mice with advanced atherosclerosis leads to a decrease in the number of smooth muscle-derived cells causing plaque growth, while preserving stabilizing cell types. This finding opens up new opportunities for targeted therapies.
GIST researchers develop tunable optical properties in nanostructures, enabling applications in wound healing, drug delivery, and secure verification. A clock-inspired design featuring magnesium nano-rotamers demonstrates programmable polarization-resolved coloration.
Researchers discover antibody-dependent enhancement of toxicity (ADET), a phenomenon where antibodies can amplify venom's potency. The breakthrough contributes to expediting the development of a new generation of antivenom, potentially saving millions from snakebites yearly.
Researchers developed a platform combining automated experiments with AI to predict chemical reactivity, greatly accelerating the design process for new drugs. A machine learning model predicts where molecules will react and how reaction sites vary under different conditions, enabling precise tweaks to complex molecules.
Researchers have developed a precise and efficient tool using 'single atom skeletal editing' to insert single carbon atoms into cyclic compounds, enabling ring size adjustment from five to six-membered rings. This approach opens up the way for designing and modifying complex molecular structures with potential industrial applications i...
Researchers at St. Jude Children's Research Hospital have designed a new version of the drug spectinomycin that overcomes efflux, a key mechanism driving antibiotic resistance in Mab infections. The modified compound, eAmSPCs, shows enhanced antimicrobial efficacy and works well with various classes of antibiotics.
Researchers develop nanoparticles that selectively bind to activated astrocytes and microglia cells in the hippocampus of Alzheimer's patients, demonstrating increased nanoparticle transport across the blood brain barrier with age. The study provides valuable insights into advancing nanoparticle-based drug delivery for treating neurode...
Researchers at UChicago find a way to use electricity to boost chemical reactions, improving yields and enabling sustainable synthesis. The study uses electrochemistry to control molecular interactions, offering a unique design lever for greener chemistry.
Researchers have developed a new method to generate cyclic peptides that can target diseases and be administered orally, overcoming challenges in protein binding. The approach enables high-throughput screening and has shown substantial bioavailability in rats, opening possibilities for treating various diseases.
The researchers designed a capsule about the size of a multivitamin, powered by a small battery, which vibrates to activate mechanoreceptors in the stomach. This activation stimulates hormone release patterns similar to those following a meal, reducing food intake and slowing weight gain by 40 percent.
Scientists in Germany developed a new analytical method to precisely elucidate the size of particles, structure, and RNA molecules in pharmaceutical products. This information can help evaluate product quality, enabling improved development of new products.
A team of researchers has discovered a new inactive form of the p38a protein, which is regulated by the cellular redox state. This finding opens up new avenues for developing therapeutic compounds that modulate the activity of p38a more precisely.
Scientists at the University of Washington School of Medicine developed a novel protein design approach using AI, creating proteins that bind to challenging biomarkers with exceptionally high affinity and specificity. The breakthrough has implications for drug development, disease diagnosis, and environmental monitoring.
A new study found that deaths from infective endocarditis decreased overall in the US, but rose sharply among people ages 25-44, likely linked to the opioid crisis. Researchers call for more investigation into the trends and recommend comprehensive care plans including substance use disorder screening and treatment.
Researchers have identified a new enzyme, KtzT, that can form a rare nitrogen-nitrogen bond in molecules. The discovery enables the efficient production of tailored compounds with specific effects on organisms and their metabolic processes.
A new study published in the Journal of the American Heart Association found that many couples around the world share high blood pressure. The research analyzed data from over 50,000 couples in four countries and found a strong association between partners' blood pressure status.
Temperature-sensitive emulsions offer a new method to control when droplets dissolve, enabling precise targeting of medicines to specific areas in the body. The discovery could revolutionize methods of delivering medication in higher concentrations to diseased areas.
Researchers at Gladstone Institutes used CRISPR to destroy glioblastoma cells in an approach that could be applied to other highly mutated cancers. The technique, dubbed "cancer shredding," targets and rapidly eliminates tumor cells while sparing healthy ones.
Researchers at Purdue University have developed a novel cancer immunotherapy compound that targets the enzyme TC-PTP, found in both cancer cells and T cells. Deleting this enzyme promotes antigen presentation, alerting the immune system to tumor cells, while stimulating T-cell activation enhances their ability to fight and destroy tumors.
A phase 4 clinical trial found that apixaban, an anti-clotting medication, reduced the rate of stroke and blood clots in adults with implanted heart devices experiencing short bouts of asymptomatic, irregular heart rhythms. The study suggests that these individuals may benefit from receiving an anticoagulant.
A new therapeutic, lepodisiran, has shown promising results in reducing lipoprotein(a) levels to undetectable levels for nearly one year. The study found that the medication is safe and effective in lowering Lp(a) levels by more than 94%.
The ORBITA-2 trial found that stenting improves symptoms compared to a placebo procedure, providing evidence-based treatment for stable chest pain. The study suggests updating guidelines for stable coronary artery disease and offers patients and medical teams two treatment strategies with similar benefits.
The C-Path Neuroscience Annual Workshop brought together stakeholders to chart a transformative course for neurology research and drug development, focusing on chronic progressive diseases such as Alzheimer's and Parkinson's. Key highlights included recommendations for innovative therapies and tools to address complex disorders.
The Southwest-Midwest Pediatric Device Innovation Consortium has supported over 200 pediatric device innovators and companies, developing several devices in the past five years. The consortium's portfolio includes real-world evidence research projects using digital tools for collecting and analyzing patient data.
Scientists at Nagoya University developed a new gastric acid inhibitor with a binding affinity nearly 10 times higher than existing drugs. The AI-driven approach led to the creation of compound DQ-18, which exhibits stronger binding to the gastric proton pump.
Scientists have developed a novel organ-on-a-chip device with customizable screen-printed electrodes for measuring endothelial barrier integrity. The device overcomes traditional electrode fabrication challenges, providing a reliable and accurate method for studying the crucial roles of endothelial barriers in healthy and disease states.
Researchers develop 3D-printed device to encapsulate insulin-producing pancreatic cells and electronic sensors in the eye. The device enables cell-based therapy for Type 1 or Type 2 diabetes, eliminating the need for sutures and allowing real-time monitoring.
Scientists designed an mRNA nanovaccine using machine learning to overcome delivery barriers, promoting strong immune responses and activating the STING pathway to kill tumor cells. The therapeutic strategy demonstrated stronger anti-tumor effects in melanoma and colorectal cancer models.
A new model describes microswimmer self-propulsion energy requirements, enabling optimized shape designs and applications in microfluidics, biophysics, and material science. The study reveals surprising similarities between artificial and natural shapes.
A study found that people with a specific genetic mutation in the CARD9 gene have higher IL-17 protein levels, making them more responsive to IL-17 inhibitor biologics. This discovery may lead to targeted treatment recommendations for ankylosing spondylitis patients.
A new cancer drug candidate has been found to restore the effectiveness of the immune system in fighting tumors, including melanoma, bladder cancer, leukemia, and colon cancer. The drug works by lowering a toxic compound called MTA, which impairs normal functioning of immune cells and blocks immunotherapies.
The Keck School of Medicine of USC has received a $2 million grant from the California Institute of Regenerative Medicine to further enhance its cutting-edge cGMP Laboratory. The funding will support the adoption of advanced technologies, including an electronic quality management system and optimized cell therapy manufacturing processes.
A new compound developed at the University of Illinois Chicago potentially offers an alternative to injections for wet age-related macular degeneration, a leading cause of blindness. The drug targets End Binding-3 and has been shown to reverse damage and promote regenerative processes in animal models.
Researchers combined three highly potent cancer drugs in a single prodrug that is activated in tumor cells, resulting in improved efficacy and reduced side effects. The new approach has shown promise as a potential solution to reduce the burden on patients' bodies during cancer treatment.
Researchers developed a computational model to analyze glucose-responsive insulin (GRI) performance in human patients. The model predicted that differences in sugar receptor behavior between humans and lab animals led to the drug's poor effect in clinical trials. This breakthrough helps researchers design better GRIs, potentially reduc...
Researchers at University of California - Riverside uncover COVID's Achilles heel - its dependence on key human proteins. By understanding how the virus interacts with human cells, a new class of antiviral medication may be developed to block replication and treatment.
Researchers developed nanoparticles that accumulate in cancer cells and eliminate them after photoactivation, also labeling immune cells to target similar cells throughout the body. This technology has shown promise in treating mice with implanted human tumor cells and could lead to a new treatment approach for metastatic cancers.
Medical cannabis use in Australian patients with chronic health issues is linked to significant improvements in overall health-related quality of life and fatigue levels. Patients also report clinically meaningful reductions in pain and moderate-severe anxiety and depression.
A new study published in eLife reveals the folding speed limit of helical membrane proteins using a robust single-molecule tweezer method. The findings provide unprecedented insights into structural states, kinetics, and energy barrier properties, offering valuable guidance for advancing pharmaceutical research and design.
Scientists have extended a powerful molecule-building method to the broad class of chemicals known as alcohols, enabling the transformation of simple alcohols into useful molecules. The new approach uses weak interactions between ligands and starting molecules, similar to those used by enzymes in nature.
Researchers developed a liver-targeting drug that reversed obesity and lowered cholesterol in obese mice by delivering the drug via nanogel. The treatment, which was administered intraperitoneally, effectively normalized weight and reduced cholesterol levels despite continued high-fat diet consumption.
A new nanogel-based carrier delivers a synthetic thyroid hormone mimick to liver cells, resulting in weight loss and improved cholesterol levels. The treatment also resolves liver inflammation with minimal side effects, offering potential for other liver-based diseases.
Scientists at Oak Ridge National Laboratory are developing new cancer treatments that target the metabolic pathway hijacked by cancer cells. Using neutrons and x-rays, researchers mapped the enzyme structure to design roadblocks along the pathway.
A new digital headset can detect subtle forces exerted on the skull as the heart contracts, revealing brain changes even in athletes whose symptoms have subsided. The device could help clinicians and coaches make more informed decisions about when athletes are ready to return to play after a concussion.
Researchers at TUM develop an RNA agent for a lung spray that slows macrophage activity, reducing lung inflammation and fibrosis. The active substance RCS-21 is delivered via an inhaler through a special sugar molecule, showing promise in treating acute inflammatory lung damage.
Deep learning methods significantly improved protein design success rates by 10-fold using AI-augmented pipelines and machine learning software tools AlphaFold 2 and RoseTTA fold. The study successfully generated accurate models of protein structures, paving the way for new discoveries in fields like cancer and COVID-19 research.
Researchers at Penn State have discovered a safe and efficient way to create cyclopropanes, key features in many drugs, using a previously undescribed chemical process. The new method uses visible light and common ingredients to transform alkenes into cyclopropanes with no carbene intermediate.
Insilico Medicine's inClinico platform uses generative AI to predict Phase II to Phase III clinical trial success with an accuracy of 79%. The tool has been validated in various studies and can provide valuable insights for investors and biotech/pharma companies.
Researchers at Insilico Medicine discovered novel inhibitors for salt-inducible kinase 2 (SIK2), a potential target for anti-inflammation and anti-cancer therapy. The findings were published in the July 13 edition of Bioorganic & Medicinal Chemistry, demonstrating the power of Insilico's Pharma.AI platform.
A new drug formulation designed for treating children with HIV has shown safety, tolerability, and effectiveness in a study published in The Lancet HIV. The formulation contains three medications and was found to suppress HIV levels below 200 copies/mL in 98% of participants.
Researchers at Queensland University of Technology have developed a new approach to designing molecular ON-OFF switches based on proteins, which can be used in various biotechnological and biomedical applications. The novel technique allows for faster and more accurate diagnostic tests for detecting diseases and monitoring water quality.