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 have developed stable boron-fluorine compounds that enable the modification of complex molecules without breaking down medicines. These new compounds make it possible to increase the effect or reduce side effects of drugs at a late stage, reducing waste and improving resource efficiency.
A Mass General Brigham study identifies new mutations that emerge in tumor cells following treatment, driving resistance in patients with different types of cancer. The researchers found two main categories of mutations: those impairing p53 function and others disrupting drug binding, highlighting a path forward for overcoming resistance.
Researchers at University Hospitals and Case Western Reserve University have discovered a novel enzyme, SCoR2, that removes nitric oxide from proteins controlling fat build-up. Inhibition of this enzyme prevents weight gain and liver injury in mouse models, also lowering bad cholesterol.
In a new study, Northwestern scientists identified a previously unknown toxic sub-species of amyloid beta oligomers that drive brain changes in Alzheimer's disease. NU-9 decreased this toxin and reduced damage in a mouse model, suggesting it could prevent or delay the cascade of toxic events that destroy neurons.
A blood test may help doctors identify which patients with colon cancer can benefit from anti-inflammatory medication and chemotherapy after surgery. The test measures circulating tumor DNA levels, and high-risk patients who test positive see improved survival rates when taking celecoxib with chemotherapy.
Insilico Medicine's Chemistry42 platform enables the efficient discovery of a potent, oral CBLB inhibitor with low toxicity risks and favorable ADME/PK profiles. The compound demonstrates strong in vitro activity and improved metabolic stability in mouse, rat, and dog models.
Researchers at Martin Luther University Halle-Wittenberg have developed a promising new substance that inhibits the ability of tuberculosis bacteria to produce energy and causes them to die. The compound, PRP020, targets the pathogen's ATP synthase but attacks a different site than existing drugs like bedaquiline.
Biomedical researchers recommend diversifying funding sources, pursuing earlier licensing and commercialization, and fostering international collaborations. The US drug discovery landscape is at risk due to federal funding cuts, and alternative approaches are needed to ensure continued progress.
Researchers at the University of Virginia Health System have developed a new treatment for acute myeloid leukemia, a deadly form of blood cancer. The FDA-approved medication works by disrupting cellular protein interactions that drive leukemia cell growth and survival, offering patients a potential cure.
The article highlights the mismatch between psychedelics and economic drug development principles. Pharmaceutical companies are developing short-acting compounds and neuroplastogens to engineer trips out of the experience altogether. Dr. Sandy Hager's research suggests investors should remain cautious due to weak intellectual property ...
Researchers have mapped the full structure of bacteriophage Bas63 using cryo-EM, revealing unique decoration proteins and a rare whisker and collar structure. The detailed structural information will enable rational phage design and engineering efforts for specificity and target regions.
The collaboration combines Insilico's Pharma.AI platforms with Lilly's expertise to discover and advance new therapies. Insilico will utilize its platform to generate candidate compounds, accelerating the development of transformative treatments for urgent patient needs.
Advanced molecular dynamics simulations model complex RNA structures with high accuracy, enabling potential applications in RNA-based therapies and drug design. The study successfully simulated the folding of diverse RNA stem loops, revealing a distinct folding pathway for challenging motifs.
A new broad-spectrum antivenom developed by DTU researchers covers 17 African snake species and provides better protection against tissue damage, with a lower risk of immune reactions. The antivenom has shown impressive results in laboratory studies and could revolutionize the treatment of venomous snakebites in Africa.
Researchers at Sanford Burnham Prebys discovered a new mechanism to confer signaling bias in predictable ways, permitting rational design of new drugs. This breakthrough could lead to better therapies for addiction and psychiatric disorders by targeting the neurotensin receptor 1 (NTSR1) with biased modulators.
Abel's projects aim to create locally specialized environments for enzymes, reducing energy consumption and increasing production efficiency in biomanufacturing processes. His lab will also develop modular metabolic reaction networks, combining components to efficiently build new biomanufacturing processes.
Researchers Joseph Clark, Doowon Kim, and Joon Sue Lee received NSF CAREER awards for their groundbreaking work in chemistry, computer science, and physics. They are developing new methods to track pharmaceutical drugs and detect phishing websites, while studying the properties of quantum materials.
Researchers at the University of Bath develop a peptide fragment that locks alpha-synuclein into its healthy shape, blocking toxic clumps that cause nerve cell death. The breakthrough demonstrates the potential of rational peptide design to transform large proteins into compact drug-like molecules.
A new RNA-based drug, RES-010, is designed to block an RNA molecule called miR-22, which plays a key role in obesity. The treatment has shown promising results in preclinical studies, inducing significant weight loss without regaining weight after treatment stops.
Scientists at the University of Cambridge created a smarter way to activate the immune system against cancer by harnessing the STING pathway. The new two-part prodrug system triggers the immune response only in tumour tissues, reducing harm to healthy cells.
A new study from Mizzou's College of Veterinary Medicine analyzed the effects of radioactive iodine therapy on thyroid cancer in dogs. The research found that tailoring the dose of radiation more precisely for each dog could improve outcomes and potentially lead to more targeted care.
Researchers have developed an immunotherapy drug STF-1623 that safely prevents cancer cells from hiding from the immune system's first responders. The drug works by inhibiting ENPP1 proteins that destroy cGAMP, allowing it to trigger a broader immune response and suppress tumor growth.
Ibezapolstat, a new antibiotic, has been shown to be effective in treating Clostridioides difficile (C. diff) infections with high rates of sustained clinical cures. The study found that ibezapolstat killed harmful bacteria without harming the good bacteria in the gut, which helps prevent recurrent C. diff infections.
A Kobe University study found that metformin reduces copper and iron levels and increases zinc levels in patients with type 2 diabetes. This suggests a possible mechanism for the drug's beneficial effects beyond lowering blood sugar levels.
Researchers at the University of Oklahoma have made a significant breakthrough in understanding the amylin hormone, which controls appetite and blood sugar. Their findings provide new tools for drug development, enabling pharmaceutical companies to target specific receptors with greater precision.
The 2025 Critical Path Institute Global Impact Conference will bring together industry, regulatory agencies, academia, and patient advocacy groups to discuss pressing challenges in drug development. The event aims to foster cross-sector collaboration to advance medical innovation and improve treatment outcomes for patients.
UVA Health received two anonymous $25 million estate gifts to support the Paul and Diane Manning Institute of Biotechnology. The institute will develop new treatments for hard-to-treat diseases with a state-of-the-art biomedical research facility expected to drive economic growth in Central Virginia.
A new gene therapy delivery device called NANOSPRESSO could revolutionize how hospitals treat rare diseases by allowing them to create personalized nanomedicines in-house. This democratized approach to precision medicine could boost access to low-cost bespoke gene and RNA therapies, especially in low-resource settings.
A new Center for Protein Design at the University of Copenhagen aims to create artificially designed proteins with tailored properties to tackle diseases, environmental issues, and industrial applications. The centre will drive fundamental research and translate basic findings into concrete solutions.
Scientists have discovered a novel way to block an enzyme involved in regulating blood pressure, called ACE. Ciprofloxacin binds selectively to a different site, blocking angiotensin I but not inhibiting the enzyme's other functions.
Nach01, a large language model-based foundation model, leverages structural and spatial data for diverse chemical tasks. The model is now available on AWS Marketplace, streamlining access for researchers and pharma companies to build and apply large-scale generative models.
A new study finds that cannabis use disorder diagnoses rose substantially across all age groups, race/ethnicity, and comorbidity subgroups nationwide from 2000 to 2022. People living with HIV experienced the greatest relative increase in CUD diagnoses, particularly among older adults.
The Center for Research Innovation in Biotechnology (CRIB) has developed a comprehensive database of active pharmaceutical ingredients with evidence of clinical testing. The database provides valuable information on drug discovery and development, including pricing, sponsors, and intended clinical applications.
Scientists have developed a sugar-coated nanotherapy that effectively traps misfolded proteins, neutralizing their toxic effects on neurons. The treatment significantly boosts the survival of lab-grown human neurons under stress from disease-causing proteins.
A new generative AI model, DiffSMol, has been developed to generate realistic 3D structures of small molecules with promising drug properties. The study achieved a 61.4% success rate in creating novel molecules, outperforming prior research attempts.
A new approach, GlycoCaging, delivers medicine directly to the lower gut at significantly lower doses than current treatments, potentially helping people with inflammatory bowel disease. The technique has been shown to be effective in mice and has potential for treatment in humans, as most people have the ability to activate the drugs.
Researchers trained AI to predict protein clumping linked to 50 human diseases. The new tool, CANYA, revealed specific chemical patterns driving or preventing harmful protein folding.
Researchers at Northwestern University propose a new approach to therapeutic development using structural precision in nanomedicine. By fine-tuning the interaction between nanomedicines and the human body, scientists can design interventions that are more effective, targeted, and beneficial for patients.
Researchers developed a new model called React-OT that can predict the transition state of chemical reactions in under a second with high accuracy. The model uses linear interpolation to generate better initial guesses, reducing the number of steps and computation time needed.
Researchers at Duke University and colleagues discover a way to improve the uptake of cancer-fighting drugs called PROTACs by leveraging the CD36 protein. This approach delivered up to 23 times more potent treatment without compromising stability or solubility, paving the way for effective medications.
The University of Missouri is partnering with a consortium to design and license a new research reactor, NextGen MURR, which will produce critical medical isotopes for cancer treatment. The project aims to enhance Missouri's role as a leader in nuclear science and medical research.
A research team has identified a key protein suspected to be involved in benzodiazepine-related inflammation, which could inform strategies to improve benzodiazepine drug design and treat inflammation-related conditions. The findings may lead to new treatments for diseases such as Alzheimer's, arthritis, and multiple sclerosis.
Researchers created an anchoring-borrowing strategy to form artful single-atom catalysts, overcoming traditional oxidative addition steps in cross-coupling reactions. The new catalysts achieve high yields, excellent stability, and set a benchmark for turnover numbers.
Researchers discovered that exposure to clobazam increased the migration success of juvenile Atlantic salmon, allowing them to navigate through dams more efficiently. The study highlights the potential risks of pharmaceutical pollution on wildlife behavior and ecology.
The conference gathered international researchers to discuss AI's role in drug discovery and development, including generative AI strategies for designing chemical compounds. The speakers emphasized the significance of personalized medicine, where therapies will be tailored to each patient's unique molecular profile.
The database provides access to 36,360 spectra and 27,500 unique chemical entities, facilitating rapid identification of novel psychoactive substances like fentanyl and synthetic cannabinoids. It also includes tools for identifying novel compounds, such as drug classification models and a patented MS Adaptive Search tool.
Researchers developed new AI models, InstaNovo and InstaNovo+, to vastly improve accuracy and discovery in protein science. These models excel in tasks such as de novo peptide sequencing, identifying microorganisms, and discovering novel peptides, with implications for personalized medicine, cancer immunology, and beyond.
A new class of zwitterionic phospholipids, DOPE-Cx, enhances the functional delivery of mRNA via lipid nanoparticles, overcoming endosomal escape and improving mRNA expression. This breakthrough paves the way for advanced therapeutic applications, including mRNA vaccines, cancer treatment, and protein replacement therapy.
The Dexcom G7 CGM device demonstrated an accuracy of 8.0% in a study involving 130 adults with type 1 or type 2 diabetes, setting a new standard for continuous glucose monitoring devices.
Researchers at WVU have discovered a way to fine-tune zinc activity to improve messaging in the brain, with potential applications for treating conditions such as autism, schizophrenia and Alzheimer's disease. The study identified new compounds that can selectively change synaptic connections by modulating zinc levels.
Researchers found that digital games effective in reducing drinking, smoking, and illicit drug use among adolescents when personalized to individual players, had social components, and included content encouraging behavior change.
A major clinical trial has identified ensitrelvir as an effective medication to prevent symptomatic COVID-19 in people exposed within households. The trial showed a 67% reduction in risk of illness among participants taking the antiviral compared to those given a placebo.
Researchers at Purdue University have developed AI-powered software, Molecular Intelligence, to structure biomolecules from cryo-EM image data. The tool uses deep learning to analyze low-resolution image data and construct accurate 3D structures of proteins and other biomolecules.
A new paper proposes that temperature plays a fundamental role in setting off shapeshifting in metamorphic proteins. Researchers analyzed differences in hydrophobic contacts and found significant temperature-dependent changes, supporting their theory.
Researchers at Sanford Burnham Prebys have discovered a way to target the energy supply chain of cancer cells. By understanding how enzymes like ubiquitous mitochondrial creatine kinase (uMtCK) function, scientists can design new treatments that slow or stop tumor growth.
Researchers developed a custom-designed compound that mimics natural cannabis molecules to alleviate chronic pain without psychoactive side effects. The modified synthetic cannabinoid compound showed promise as a nonaddictive pain reliever, offering prolonged relief and minimizing tolerance.
Researchers developed a new method to search through billions of molecules to identify potential anti-inflammatory drug candidates. The method uses computer algorithms to explore vast chemical space and has the potential to speed up the costly drug development process.
Camille Bilodeau's project uses AI and molecular simulations to design peptide-covered surfaces for targeted applications, including new medicines, water desalination, and semiconductor manufacturing. Her research group aims to develop a rapid predictive tool to understand surface-water interactions of tethered peptides.
Researchers at MD Anderson Cancer Center have developed a novel antibody-toxin conjugate that stimulates the immune system to recognize and attack cancer cells. The new approach combines the benefits of ADCs with immunotherapies, allowing the body's natural immune response to limit side effects and prevent tumor recurrence.
Researchers from NUS have pioneered a new catalytic transformation that converts epoxides into fluorinated oxetanes, a coveted class of drug molecules. The discovery potentially opens the door to new medicines and offers a reliable route to incorporate these motifs into the design of novel small-molecule therapeutics.