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.
Rice researchers use a rapidly alternating magnetic field to create direction-dependent structures from superparamagnetic beads, offering precise control over material properties. The study reveals the importance of magnetic relaxation time in controlling particle interactions.
A research team developed an RNA-based sensor platform that can regulate gene expression in bacteria, mimicking natural biological interactions. The START platform enables tunable control over sensor response and detection of various molecules, including drugs and proteins.
A team of researchers has designed a new antimalarial drug called MED6-189, which is effective against both drug-sensitive and drug-resistant strains of human malaria parasites. The compound works by targeting the apicoplast organelle and vesicular trafficking pathways, making it a promising lead in the fight against malaria.
Researchers at UT Austin developed AI model EvoRank to design protein-based therapies and vaccines by leveraging nature's evolutionary processes. The model identifies useful mutations in proteins, offering a new approach to biomedical research and biotechnology.
A study published in Neuron found that psychedelics, such as DOI, activate fast-spiking interneurons in the ventral hippocampus, which helps to silence other neighboring neurons and reduce anxiety in mice and rats. This understanding of brain chemistry could lead to the development of new drugs targeting anxiety.
Scientists used neutrons to identify exact atomic-scale chemistry in serine hydroxy methyltransferase, a metabolic enzyme necessary for cell division. The researchers discovered that a glutamate residue regulates chemical reactions for this enzyme, and designing an inhibitor could block the enzyme's function.
The European capacity for antibiotic research and development requires sustained investment to combat growing resistance. Collaboration and risk-sharing can help keep companies in anti-infective drug development, as a temporary funding strategy may lead to lost efforts.
The LYFE-III study will digitize the intervention and make it freely available, assessing its effectiveness. The current research builds on previous studies that focused on parenting skills enhancement and substance abuse prevention among Latino youth.
The development of vaccine adjuvants has evolved significantly, shifting from empirical methods to a more structured approach grounded in rational drug design. This new era emphasizes the importance of understanding structural and functional traits of adjuvants.
Proteolysis targeting chimeras targeting peroxisome proliferator-activated receptors (PPARs) show promise in overcoming challenges of PPAR-targeted therapies. They offer enhanced tumor specificity due to differential E3 ligase expression, reducing off-target effects and improving therapeutic outcomes.
A UCL-led research team has crystallized the first alternative DNA structure from the insulin gene, revealing its shape and structure. The discovery suggests that different variants in the insulin gene can form different DNA structures, which could affect insulin function and potentially play a role in diabetes development.
A clinical trial led by UC San Francisco aims to develop new therapies for progressive supranuclear palsy, with a focus on reducing time to find effective treatments and increasing diverse participant enrollment. The five-year grant could lead to the first effective drugs for this incurable neurodegenerative disorder.
Researchers investigated peptide clumping behavior using molecular dynamics simulations and AI techniques. They discovered that aromatic amino acids enhance aggregation, while hydrophilic ones inhibit it, offering insights into peptide structure and function.
A study emulated a clinical trial using real-world UK healthcare data to explore treatment effects in patients with atrial fibrillation. The method found similar outcomes between apixaban and warfarin, but with differences linked to ethnicity and medication use.
Researchers characterized bemnifosbuvir's activation cascade at atomic resolution, paving the way for the design of new broad-spectrum antiviral drugs. The study provides insights into the mechanism of action of this antiviral compound, which could lead to more effective treatments against various viral infections.
A new study published in the Stroke journal found that people with brain aneurysms are at higher risk of developing mental health conditions, including anxiety. The study, which analyzed data from over 85,000 people, found that younger adults were particularly vulnerable to this increased risk.
Researchers at Uppsala University used AI to predict the three-dimensional structure of a receptor, identifying molecules that bind to it with higher accuracy than traditional methods. This breakthrough accelerates the development of new drugs for mental health disorders such as schizophrenia and depression.
A deadly marine cone snail's venom contains a toxin that interacts with human cells in a specific manner, regulating blood sugar levels and hormone balance. This discovery may lead to the design of more effective drugs for treating diabetes and endocrine disorders.
The new battery can capture oxygen from air and use it to oxidize zinc, creating a current of up to 1 volt. It powers an actuator, memristor, clock circuit, and sensors, making it ideal for robotics and medical applications.
A new study found that job strain and effort-reward imbalance at work increase the risk of developing atrial fibrillation, an abnormal heart rhythm. The research suggests that recognizing and addressing psychosocial stressors at work can foster healthy environments.
Researchers developed a novel EIT-EVA PCB sensor for non-invasive assessment of drug inhibition on ion channels. The system enables real-time monitoring of ion flow changes in response to drug exposure, offering a faster and more efficient alternative to traditional methods.
Researchers designed a molecule, MTX-531, that impairs signaling drivers of cancer therapy resistance. In mouse models, MTX-531 led to tumor regressions in multiple head and neck cancers, showing a favorable toxicity profile.
Scientists improve stability and bioavailability of mRNA nanocarriers using triphenylphosphonium, leading to increased protein production in tumor tissues. The TPP-based system also shows higher mRNA levels in blood after 30 minutes compared to amine-based micelles.
Studies published in Crystal Growth & Design highlight the suite's ability to visualize and quantify chemical and topological information from crystallographic data. This approach can reduce trial-and-error methods, providing data-driven guidance for formulators and particle engineers.
Researchers at the University of Cambridge have developed an atlas of proteins that reveals how they behave inside human cells. The tool allows for the identification of new proteins involved in important bodily functions, including fat distribution and protein creation.
Researchers develop a method that fuses AlphaFold's strengths with computer simulations based on physics laws to predict protein structures, enabling faster drug development. The approach filters down initial hypotheses to a more manageable set of structures, increasing the effectiveness of pharmaceuticals.
Researchers describe a new concept for an immune response against cancer and aging using senescent cell-derived vaccines. The vaccines aim to stimulate the immune system against cancer cells and slow down or reverse aging-related diseases.
Scientists have identified a mechanism that enables enzymes to communicate and produce organic molecules with disease-fighting properties. This breakthrough could aid in the discovery of new drugs by allowing researchers to design or modify enzymes to create novel natural products.
Researchers have made a breakthrough in understanding the GIP hormone's role in regulating insulin levels and weight loss. The study, involving over 500,000 individuals, found that inhibiting the GIP receptor may result in weight loss, while activating it without arresting its signal is crucial.
Dr. Alice Walker will investigate the design of fluorescent protein sensors using computer simulations, which may aid in tracking diseases and monitoring treatment effectiveness in living cells and organisms. The five-year $690,816 grant also supports undergraduate research opportunities for WSU students.
The researchers created soft robots equipped with electronic skins and artificial muscles to sense their surroundings and adapt in real-time. These robots can perform various tasks, such as monitoring internal conditions, providing treatments, and delivering drugs over an extended period.
Researchers highlight strategies for improving agriculture with nanotechnology, including targeted delivery of pesticides and herbicides, and digital twin simulations. These approaches aim to reduce environmental pollution and increase crop resilience.
Researchers at The Wistar Institute have developed a new, long-lasting antibody treatment called Persistent Multivalent T Cell Engager (CA9-PMTE) that targets clear cell renal cell carcinoma. This innovative therapy has shown promise in pre-clinical models and could potentially be used to treat other difficult-to-treat cancers.
Cleveland Clinic and IBM researchers develop a hybrid framework combining quantum and classical computing methods for protein structure prediction. This approach overcomes limitations of current classical methods and demonstrates improved accuracy in predicting protein structures.
Researchers have designed a method to 'cloak' proteins for targeted delivery into cells, utilizing lipid nanoparticles. The cloaked proteins can be captured by the nanoparticles and exert their therapeutic effect once inside the cell. This approach shows promise for repurposing antibodies and other proteins for cancer treatment.
The study highlights the importance of protease-activated receptors (PARs) in cancer growth and development, with PH-binding motifs identified as a key platform for drug design. The researchers suggest that targeting PARs could provide an alternative to current oncogenic pathways.
Scientists have discovered the transporters responsible for delivering essential nutrients choline and ethanolamine to human cells. The study sheds light on the atomic structure of these transporters and their role in distributing micronutrients throughout the body, providing a foundation for new therapeutic approaches.
Researchers found no significant 'participation effect' in cancer trials, contrary to common belief among patients and healthcare providers. The study's results provide reassurance that not enrolling in a trial doesn't disadvantage a patient's survival outcomes.
A phase 3 trial found that pamrevlumab did not significantly improve lung function in patients with idiopathic pulmonary fibrosis. The study's results underscore the need for effective treatments to slow disease progression and improve patient outcomes.
Nach0 was trained on diverse tasks, including natural language understanding, synthetic route prediction, and molecular generation. The model performed well on molecular tasks using molecular data and outperformed ChatGPT, making it a significant step toward unlocking the full potential of LLMs for drug discovery.
Researchers have developed a synthesis method for introducing difluoromethyl groups into pyridines, a promising approach for new drugs and agrochemicals. The method allows precise introduction of the group at specific sites, overcoming a long-standing challenge in the chemistry field.
Researchers have discovered new binding sites for medications in proteins by heating them to body temperature, revealing previously unknown structures. This breakthrough could lead to the development of more effective drugs for various health conditions, including stroke, heart disease, and diabetes.
Insilico Medicine's lead compound demonstrates strong enzymatic activity, selectivity, and favorable ADME properties, as well as antitumor activity in various animal models. The company's generative AI-powered platform generated over 3,600 candidate molecules before identifying the promising lead compound.
Researchers at Insilico Medicine developed COSMIC, a new framework for molecular conformation space modeling that provides accurate insights into molecule positioning and activity. This enables faster and more efficient drug design decisions.
Researchers at Gladstone Institutes have identified a blood coagulation protein, fibrin, as the culprit behind toxic inflammation and neuron loss after a major head injury. This finding can inform new treatment strategies for traumatic brain injuries, which often lead to dementia, depression, and difficulty concentrating.
Researchers at University of Texas M. D. Anderson Cancer Center have developed a new method for developing immunotherapy drugs using engineered peptides. The approach improved tumor control and prolonged survival in preclinical models of breast cancer.
Researchers from the University of Cambridge used AI to identify compounds that block alpha-synuclein aggregation, a key step in treating Parkinson's disease. This breakthrough could lead to faster development of new treatments for the condition, which affects over six million people worldwide.
Researchers at Insilico Medicine have identified a new class of Polθ inhibitors featuring central scaffolding rings, designed using Chemistry42, with significant enzymatic and cellular potency. The discovery showcases the potential of AI in medicinal chemistry for precise molecular modifications.
Researchers have developed a new treatment that uses tailored doses of anti-cancer drugs released directly into the surgical cavity to treat liver cancer. The approach has shown promise in reducing recurrence rates and minimizing chemotherapy side effects, with potential applications for other types of cancer.
Researchers at Insilico Medicine developed QFASG, a quantum-assisted algorithm generating novel small-molecule structures from fragments. The tool successfully designed inhibitors for cancer-related proteins, showcasing its potential in accelerating drug discovery and development.
A new statistical-modeling workflow can quickly identify molecular structures of products formed by chemical reactions, accelerating drug discovery and synthetic chemistry. The workflow also enables the analysis of unpurified reaction mixtures, reducing time spent on purification and characterization.
Researchers found that nontraditional stroke risk factors like migraines are as important as traditional risk factors like high blood pressure for adults younger than ages 35-45. The association between stroke and nontraditional stroke risk factors was stronger in adults younger than 35 years old.
Researchers have developed a new, synthetic lung surfactant that mimics the functionality of animal-derived formulations. The surfactant has shown promise in reducing surface tension and may offer a cheaper alternative to Infasurf.
Researchers have developed an AI model called SyntheMol that can design new antibiotics against deadly bacteria like Acinetobacter baumannii. The model identified six potent antibacterial compounds with non-toxic properties, offering a potential solution to the global crisis of antibiotic resistance.
Researchers have developed nanoparticles that can inactivate multiple strains of the SARS-CoV-2 virus by targeting its twist in the spike protein. These particles show promise as a complementary treatment for COVID-19 when vaccines and other treatments are ineffective, particularly against vulnerable populations.
A Stanford University research team has developed a potential new anti-coronavirus drug that binds more tightly and durably than current treatments like Paxlovid. The compound, ML2006a4, performed well in preclinical experiments against SARS-CoV-2 variants that have evolved resistance to Paxlovid.
Researchers have demonstrated novel proteins that can efficiently reach intramembrane targets using a customized computer-based approach. The study yields a general computational process for streamlining protein design aimed at intramembrane targets, opening up possibilities for therapeutic applications and understanding signaling mech...
Researchers used generative AI to design a lead molecule for treating fibrosis, a biological process associated with aging. The compound, INS018_055, demonstrated significant efficacy in preclinical studies and showed promising results in clinical trials, accelerating drug discovery and providing new therapeutic options.
A novel antibody constant region variant (REW) extends plasma half-life and improves biodistribution, allowing for both invasive and non-invasive delivery. The REW technology also enhances the complement system, providing enhanced ability to kill cancer cells and bacteria.
PandaOmics uses advanced AI algorithms to process vast quantities of diverse data, performing gene and pathway analysis and target predictions. The platform has been extensively validated in multiple therapeutic areas, including oncology, inflammation, and immunology.