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.
Scientists created artificial organisms by combining contractile and passive tissues, achieving high-performing candidates that matched predicted behaviors. The developed method can be applied to designing living machines for various applications.
Researchers have identified two distinct types of antibiotics produced by bacteria that target the same cell wall component, offering a promising approach to combatting antimicrobial resistance. The discovery provides chemical blueprints for pharmaceutical chemists to design new, effective drugs.
A risk management program for opioids may not be effective due to design and execution flaws, according to a Johns Hopkins Bloomberg School of Public Health study. The program's educational materials were consistent with FDA guidelines, but assessments of its impact were often inadequate.
A new study found that VA patients are less likely to skip medications and more likely to afford them compared to non-VA patients. The VA's pharmacy benefit model could be a key to making prescription drugs universally affordable.
Researchers aim to understand how biomolecules fold and interact to inform better drug design. The lab combines computer programming with biochemistry to model protein folding, nucleic acid dynamics, and lipid interactions.
Scientists have determined the structure of the B-Raf protein, which is responsible for about 50% of melanomas. The study reveals an asymmetric organization of the complex, enabling asymmetric activation of the B-Raf dimer, a mechanism that explains the origin of paradoxical activation by small molecule inhibitors.
A working group of medical organizations analyzed 29 pivotal phase III trials for disease-modifying drugs in MS, finding that patient symptoms and quality of life were often not considered. They suggest improving studies by focusing on patient-reported outcomes and long-term treatment effects.
Researchers have uncovered the near atomic-level structure of a calcium homeostasis modulator, a protein crucial in processing taste stimuli and mitigating brain cell toxicity. This discovery may lead to novel medications for CALHM-related disorders, including Alzheimer's disease and stroke.
Researchers have developed a deep machine learning algorithm that can predict the quantum states of molecules, enabling faster design of drug molecules and new materials. The algorithm can process complex quantum chemical data in seconds on a laptop or mobile phone, revolutionizing computational chemistry and molecular physics.
Researchers developed a retinal hyperspectral imaging technique to detect early signs of Alzheimer's disease. The test scans the retina for biochemical changes associated with the disease, potentially identifying high-risk individuals and facilitating interventions.
Scientists designed a novel approach to create stable and predictable antibody drug conjugates (ADCs) using computational docking molecular simulations. The new therapy, called MAGNET-ADC, can deliver cancer drugs specifically to tumor tissue with reduced toxicity.
A crowdsourcing game called Foldit allows players to design protein structures that are reproduced in labs, showing their accuracy. Researchers also discovered how cooking affects the gut microbiome and found a new material to remove toxic sulfur dioxide gas.
Researchers have created a synthetic abscisic acid (ABA) mimic, opabactin, nearly 10 times more effective in manipulating crop water use than natural ABA. The molecule demonstrates high potency in wheat and tomato plants and provides long-lasting protection against underwatering.
The October issue of SLAS Discovery features a two-part special issue on membrane proteins, highlighting the importance of these targets for novel drug design. The issue includes reviews and original research papers on various aspects of membrane protein biology, such as targeting specific transporters and channels.
Researchers developed a customized drug treatment that targets a single child's unique mutation, slowing disease progression and stabilizing symptoms. The 'n of 1' clinical trial was completed in less than a year, offering hope for future personalized treatments.
Researchers at Cornell University have solved the three-dimensional structure of a protein complex involved in vertebrate vision at atomic resolution, revealing how signals from photons are amplified in the eye. The study provides insights into G-protein-coupled receptors and their role in human vision, with potential implications for ...
Researchers have developed a new drug delivery strategy targeting K-Ras proteins, responsible for aggressive and untreatable cancers. The approach uses FTase and GGTase I inhibitors to disrupt the lipid modification of mutated K-Ras, blocking its proliferation.
Schistosomiasis, a parasitic disease affecting 200 million people worldwide, can't be cured with current approaches due to poverty's role. Researchers found that mass drug administration programs fail to eradicate the disease, as treated individuals re-expose themselves to contamination.
Researchers at Insilico Medicine have developed a new molecular descriptor, MCE-18, which estimates molecular complexity and defines the evolution of small molecules in medicinal chemistry. The study reveals that modern drug development is becoming more qualitative and smarter, with higher degrees of 3D complexity.
A new, more effective influenza vaccine is being tested in the US, aiming to improve seasonal flu shot effectiveness. The vaccine uses adjuvants to enhance protection against infection, with a technology designed by artificial intelligence.
Researchers have developed effective activators for the bitter taste receptor TAS2R14, which could have significant health effects. The receptors play a role in the human immune system and are found on lung and testicle cells.
Boehringer Ingelheim and the University of Dundee have extended their collaboration to develop novel protein degradation medicines targeting cancer-causing proteins. The structure-based design approach has yielded a highly potent and selective drug candidate, making it freely available via Boehringer Ingelheim's open innovation portal.
The June issue of SLAS Technology introduces a new sample management collection, enabling the use of disease-relevant cells and tissues in miniaturized biology. This shift reduces drug discovery attrition by mimicking the disease state more effectively.
Researchers at University of Queensland discover a way to stop inflammation by inhibiting the inflammasome protein complex. This breakthrough could lead to the design of new anti-inflammatory drugs, informing treatment for chronic inflammatory diseases such as Parkinson's and Alzheimer's.
A new study confirms grapefruit juice prolongs the QT interval, posing a risk to patients with congenital long QT syndrome and those taking QT-prolonging medications. The findings call for stronger warnings to protect these patient groups.
A new digital filter approach aims to improve chemical measurements, enabling faster drug development and clinical trials. The technology, developed by Purdue University professor Garth Simpson, uses non-negative matrix factorization to analyze large data sets and remove timing artifacts.
Researchers have identified a promising compound, golvatinib, that inhibits hepatitis A virus infection. The discovery was made possible by combining high-resolution cryogenic electron microscopy and molecular modeling to understand the structural basis of neutralization.
Researchers have developed 3D models of the two melatonin receptors, MT1 and MT2, which will help design drugs that interact only with these receptors, reducing side effects. The findings could lead to new treatments for sleep disorders, diabetes, cancers, and other health issues affected by melatonin.
A new mathematical model could be key to designing effective therapies for brain disorders by quantifying the bias of biological signals through G-protein-coupled receptors. The model enables the discovery and development of drugs that are agonist, neutral antagonist, and inverse antagonist.
Rice University scientists have developed a novel method to incorporate nitrogen into molecules, bypassing traditional multi-step processes. This breakthrough enables the quick and efficient production of valuable alpha-aminoketones, which are crucial for drug design and synthesis.
The OCTN2 transporter plays a vital role in maintaining carnitine homeostasis, and its deficiency can cause severe muscle pathology. The OCTN1 transporter is associated with inflammatory diseases, such as Crohn's disease, and may have anti-inflammatory properties.
Researchers at LSTM and Imperial College London have designed drugs that target the receptors of human cells to combat flu pandemics. The engineered biologicals block interactions between influenza viruses and human cells, offering a potential solution to deadly strains.
A team at Cal Tech developed a novel approach to building a water force field, demonstrating its accuracy in predicting various properties of water. The new force field shows promise in improving drug design and understanding anomalous characteristics of water.
UK researchers identify molecules that can effectively inhibit dysregulated proteins responsible for acute myeloid leukemia, a severe and rapidly progressing cancer type. The discovery sets the stage for new biological experiments and cancer treatment approaches.
Researchers at Colorado State University have created a new carbon-carbon bond reaction using phosphorus to stitch together molecular rings called pyridines. This reaction could fling open an underexplored wing of biologically relevant chemistry, allowing for the discovery of new drugs.
Researchers at Ohio State University developed a new method to generate ketyl radicals, enabling the design of new synthetic drugs. The process uses manganese as a catalyst activated by an LED light, resulting in more controlled, wasteful, and selective product formation.
Human clinical trials for DesignMedix and Portland State's anti-malarial drug DM1157 have begun, assessing the drug's safety and absorption in healthy volunteers. The Phase I study aims to overcome growing resistance among malaria medicines, with potential approval for treatment of millions.
The University of North Carolina at Chapel Hill has developed a new method of single-particle tracking based on machine learning, achieving higher accuracy and automation than current techniques. The technique is widely used in physical and life sciences to track individual particles such as viruses, cells, and drug-loaded nanoparticles.
The American Chemical Society has announced its 2018 Talented 12, a group of young scientists working to solve the world's most pressing problems. These innovators are deciphering life on Earth, exploring molecules in space, and developing gene editing technology.
Researchers at NUS have developed an AI technology platform that can quickly determine the most effective drug combination for a patient. The Quadratic Phenotypic Optimisation Platform (QPOP) uses small experimental data sets to identify effective drug combinations and personalized treatment options.
An artificial-intelligence approach called ReLeaSE can teach itself to design new drug molecules from scratch. The system comprises two neural networks that learn and improve over time, generating molecules with specified properties.
Researchers at Tufts University have developed smart bandages with integrated pH and temperature sensors that can detect infection and inflammation. These bandages can deliver targeted drug treatments to improve the chances of healing for chronic wounds, which are a significant medical problem affecting millions of people worldwide.
Researchers have developed a new class of biosensors that can study biomembrane interactions and reveal how cells respond to disease molecules. This technology has significant implications for designing more effective anti-infective drugs and novel cancer treatments.
In a recent study published in JAMA Network, synthetic opioids were found to be involved in 45.9% of opioid-related deaths in 2016, up from 14.3% in 2010. The study highlights the growing threat of synthetic opioids, particularly fentanyl, and their increasing role in overdose deaths
Researchers at the University of California - Berkeley have discovered the molecular structure of human telomerase, a key enzyme in aging and cancer. The detailed picture reveals possible drug-target sites, allowing for more targeted treatments to be developed.
A multi-institutional project has provided new understanding of how GPCRs regulate in response to physiological ions like sodium, calcium, and magnesium. This research could lead to more effective drugs for controlling pain, hunger, and other conditions by targeting the receptors' function.
Scientists at Brigham and Women's Hospital have created a hydrogel that responds to increased disease activity during flares, releasing drugs to alleviate symptoms. The technology has shown promise in preclinical models and could provide a new treatment option for patients with arthritis.
Most antibiotic courses for acute sinus infection in adults exceed five days, despite guidelines recommending a maximum of seven days. The study analyzed over 3.7 million visits by private practice physicians and found that nearly 70% of prescribed treatments lasted longer than 10 days.
Researchers at Rockefeller University discover a molecular doorstop antibiotic that kills Mycobacterium tuberculosis, but not suitable for clinical use. By understanding its mechanism of action, medicinal chemists can design new antibiotics that target specific enzymes, offering hope for a more targeted treatment against the disease.
Researchers found that mice increased their running on a wheel two hours before the door to the nebulizing chamber was open. The activated brain regions included those implicated in reward processing and craving: the orbitofrontal cortex, dorsomedial hypothalamus, and lateral septum.
Researchers will collect data from survivors of viral outbreaks to understand how some people fight off the disease. The goal is to inform vaccine design, develop new diagnostics, and prevent future outbreaks.
A recent neutron analysis of glaucoma drugs and their interaction with human carbonic anhydrase II (hCA II) enzyme revealed the impact of temperature, pH, and electrical charge on drug targeting. The study provides new information about hydrogen-bonding networks in hCA II, which may aid in designing more effective cancer treatments.
A team of researchers from Case Western Reserve University School of Medicine has used cryo-electron microscopy to capture the structure of full-length serotonin receptors for the first time. This breakthrough provides valuable insights into molecular binding sites that could lead to more precise drug design and targeted therapies.
Researchers have deciphered the molecular structure of an antipsychotic docked in its key receptor, revealing a deep pocket that could be targeted to design more selective drugs with fewer side effects. This discovery may hold secrets to designing better treatments for schizophrenia and bipolar disorder.
Researchers identify hundreds of genetic changes that enable malaria parasite resistance to multiple drugs. The study provides insights into the development of drug-resistant strains, highlighting potential targets for novel treatment options.
Researchers at Scripps Research Institute use nuclear magnetic resonance spectroscopy to study the A2a adenosine receptor, revealing its dynamic structure and a
Compound I, a non-nucleoside reverse transcriptase inhibitor, exhibited synergistic properties and suppressed viral loads in HIV-1-infected humanized mice. The compound sustained plasma drug concentrations and effectiveness for approximately 3 weeks in mice, suggesting potential in pre-exposure treatments.
Researchers have developed a new method to design ordered peptide macrocycles with high accuracy, solving long-standing problems in peptide therapeutics development. The approach uses natural amino acids and their mirror opposites to improve pharmacological properties and provide a diverse range of shapes.
A recent study found that drugs reviewed through FDA's expedited programs were approved in median development times of 7.1 years, significantly faster than those in non-expedited programs. This analysis provides new insights into the effectiveness of these accelerated review pathways for treating serious diseases.
Researchers at Monash University have created the first high-resolution structure of the Type II secretion system in Pseudomonas aeruginosa, a critical component in the bacteria's ability to secrete toxins. This breakthrough could lead to the development of new drugs targeting this nanomachine to reduce virulence and combat infection.