Articles tagged with Drug Design
Researchers developed AshPhos, a ligand that facilitates the formation of carbon-nitrogen bonds using inexpensive materials. The tool has potential applications in pharmaceuticals, nanomaterials, and degrading PFAS pollutants.
A team of scientists developed a computational design tool called SPaDES to create new membrane receptors that outperform natural counterparts. The new receptors were designed by optimizing water-mediated interactions, resulting in higher stability and signaling efficiency.
Researchers developed mucoadhesive films combining xyloglucan and green tea extract to treat oral mucositis, a painful inflammation caused by cancer treatment. The films demonstrated high strength and adhesion forces comparable to commercial products, showing promise as a novel treatment for oral mucositis.
Researchers at Stanford University have developed a computational workflow that can design thousands of new enzymes, predict their behavior, and test their performance across multiple chemical reactions using machine learning. This breakthrough accelerates the process of creating new enzymes, which can enhance perfumes, clean laundry, ...
A new study demonstrates how fluorescent cholesterol probes can visualize cholesterol in live cells, revealing its role in amyloid plaque formation and cellular signaling. The novel probes have the potential to enhance our understanding of how cholesterol imbalances contribute to neurodegenerative disorders.
The Lancet Commission on Clinical Obesity proposes a new model for diagnosing clinical obesity based on objective measures of illness at the individual level. The proposal aims to settle the ongoing dispute around the idea of obesity as a disease, providing a medically coherent framework for diagnosis.
Researchers have developed a new geometric machine learning method called MaSIF, which enables the design of proteins that bind specifically to desired molecular structures. This approach accelerates precision drug development by allowing for precise dosing and control of biological drugs.
Researchers at the University of Washington have developed new proteins that can neutralize lethal snake venom toxins using deep learning computational methods. These protein designs show promise for creating safer and more cost-effective antivenoms, potentially saving millions of lives annually.
Researchers created new proteins using AI that bind to and neutralize deadly snake toxins, providing a safer alternative to traditional antivenoms. The study's results show an 80-100% survival rate in mice, offering potential benefits for people in developing countries.
Researchers have discovered a new target for antibiotics, the methylerythritol phosphate pathway, which is essential for bacteria's energy metabolism. By blocking this pathway, bacteria can be killed without affecting human cells.
The Menarini Group and Insilico Medicine have entered into an exclusive licensing agreement for a preclinical small molecule targeting solid tumor cancers. The asset has demonstrated broad anti-tumor activity in selected cancers, offering new treatment options for cancer patients with high unmet needs.
ISM1745, a potentially best-in-class small molecule inhibitor, has been nominated as a preclinical candidate for the treatment of MTAP-deleted cancers. It targets Protein arginine methyltransferase 5 (PRMT5), which is elevated in various cancers and correlates with poor prognostic outcomes.
Researchers at U of T have created SIMPL2, a platform that simplifies detection and improves accuracy of protein-protein interactions. The tool enables the rapid identification of protein interactions, including weak ones, for targeted drug therapies.
Researchers at Université de Montréal successfully recreated two distinct mechanisms that can program the activation and deactivation rates of nanomachines in living organisms across multiple timescales. This breakthrough suggests how engineers can exploit natural processes to improve nanomedicine and other technologies.
Lanza joins 170 inventors from around the world who have generated over 20,000 licensed technologies and hold more than 2,000 patents. His nanoparticle-based innovations, including targeted PFC nanoparticles, are being used to detect blood clots and treat breast cancers.
A recent study found that multiple phage species can coexist stably on a genetically uniform strain of E. coli in the human gut. The researchers discovered that each phage species prefers slower or faster growing cells, allowing them to find a separate niche and maintain stable coexistence.
Scientists identify hederagenin, a highly selective antagonist of NPFFR1, to block chronic pain. The discovery could facilitate the rational design of future therapeutics for pain management.
Scientists at UCSF have developed engineered T cells that act as immune referees to soothe overreacting immune responses and mope up inflammatory molecules. These cells could improve treatment for organ transplants, type 1 diabetes and other autoimmune conditions by reducing the need for harsh immunosuppressant drugs.
A Virginia Tech researcher has received a collaborative grant to improve cancer therapies by developing 3D liver organoids and employing cutting-edge microscopy technology. The project aims to identify the most effective treatments for cancer, enabling better-targeted treatments.
Professor Lutz Nuhn aims to create lipid-free capsules for RNA vaccines that don't require cooling and can initiate precise immune responses. He plans to equip the capsules with messenger substances to target cancer as well.
A team led by Associate Professor Giuseppe Barca has developed software capable of accurately predicting molecular behavior and setting a new benchmark in computational chemistry. This breakthrough enables scientists to simulate drug performance with accuracy rivaling physical experiments, accelerating new therapeutics design.
A new research grant aims to develop kinase inhibitors for treating type 1 diabetes, with a focus on preventing and reversing the condition. The grant is made through C-Path's TRxA program in partnership with The Leona M. and Harry B. Helmsley Charitable Trust.
Research found that spironolactone reduced the likelihood of heart failure after a heart attack, but did not significantly reduce deaths or other severe heart-related events. The study included over 7,000 adults in 14 countries who had experienced a severe heart attack.
A new AI program, PanEcho, has been developed to interpret echocardiography videos independently, reducing wait times and improving timely medical care. The program demonstrated accuracy in estimating continuous echocardiographic parameters and quantifying left ventricle dimensions and function.
A recent study found that electronic letter reminders highlighting the cardiovascular benefits of influenza vaccines increased vaccination rates among over 2 million adults in Denmark. The strategy showed a greater impact on those who have had a heart attack, improving flu shot rates by potentially being cardioprotective. The research ...
A randomized trial found reconditioned pacemakers comparable to new devices in terms of safety and effectiveness up to 90 days after implantation. However, longer-term follow-up is necessary to confirm the safety and efficacy of reconditioned devices.
Researchers found that ablation reduced ICD shocks for ventricular tachycardia and episodes of VT not detected by the ICD. This minimally invasive procedure destroys abnormal heart tissue causing VT, offering a better alternative to long-term medication side effects.
A recent study published at the American Heart Association's Scientific Sessions 2024 found that blood thinners did not reduce cognitive decline in adults younger than age 65 who have atrial fibrillation (AFib) but no other risk factors for stroke. The trial included over 1,200 participants and followed them for an average of 3.7 years...
Pharma.AI Week will showcase the latest advancements in Insilico's generative AI platform, including PandaOmics and Science42, with expert speakers and hands-on demos. The event aims to empower researchers and scientists with tools for faster and more accurate discoveries.
A $3.96 million grant will support the development of a monitoring device and data-processing algorithm to guide combination therapy design against multidrug-resistant bacteria. The goal is to overcome bacterial defenses and combat the emergence of resistance.
Researchers developed Virtual Ligand-Assisted Optimization to enhance ligand design and effectiveness in chemical reactions. The approach analyzes ligands through computer simulations, allowing for quick testing of different designs.
Scientists have designed bioluminescent proteins that can produce multiple colors of light for real-time imaging in cellular and animal models. These proteins are small, efficient, highly stable and can be used for non-invasive bioimaging, diagnostics, drug discovery and more.
The new CAMP 2.0 tool provides personalized medicine for managing allergic contact dermatitis by generating safe lists based on individual patch testing results. It offers thousands of product options and interactive tools to help patients find safe products, track their quality of life, and understand their allergens.
Researchers at UC Riverside develop a novel method to degrade the Pin1 protein, which is involved in pancreatic cancer development. The 'molecular crowbar' strategy has the potential to target and break down harmful proteins, offering new hope for cancer therapy.
Insilico Medicine CEO Alex Zhavoronkov to discuss AI business potential and economic growth at Fortune Global Forum 2024. The company has developed a generative AI-powered platform that utilizes deep learning techniques for novel target discovery and molecular structure generation.
Adipo Therapeutics' lead product ADPO-002NP shows promising results in increasing energy expenditure and improving insulin resistance by browning white adipose tissue. The company is now raising $8 million to move the treatment to first-in-human Phase I clinical trials.
Rice bioengineers create a mathematical model that challenges long-held assumptions about IL-12's behavior in the body, suggesting repeated doses cause immune cells to hoard IL-12 before it reaches the bloodstream. The findings have significant implications for IL-12 therapy design and may lead to more effective dosing regimens.
Researchers at Linköping University have developed a new version of AlphaFold that can predict the shape of very large and complex protein structures, integrating experimental data. This breakthrough aims to improve the development of new proteins for medical drugs.
A team of MIT engineers developed an algorithm to identify causal links in complex systems, taking data from various sources and analyzing interactions between variables. The method generates a causality map linking variables with likely cause-and-effect relationships, including synergistic and redundant links.
Researchers at MIT have designed tiny particles that can be implanted at a tumor site, delivering heat and chemotherapy to treat cancer. The treatment approach has been shown to completely eliminate tumors in most mice and prolong their survival.
Researchers have identified a unique multidomain enzyme capable of catalysing two separate reactions, cyclization and hydroxylation, on a single peptide substrate. This breakthrough discovery opens the possibility of developing innovative drug molecules with potential therapeutic applications for life-threatening infections and cancer.
Researchers at Wayne State University are developing new AI-powered methods to design and develop new drugs, including carbohydrate-based treatments for cancer. The study aims to improve the accuracy of simulations and machine learning models to predict the behavior of complex biological molecules.
A new study found that initial prescriptions of benzodiazepines for older stroke survivors often include excessive doses, posing a risk of dependence, falls, and other harmful effects. Guidelines recommend avoiding benzodiazepine prescriptions if possible, but some cases may require limited use under close monitoring.
Researchers at University of Dundee have designed a new variant of CRBN protein using innovative molecular
Researchers at EMBL Hamburg and CSSB have uncovered the molecular details of vitamin B1 absorption, revealing critical transporters and barriers that hinder its progress. The study sheds light on rare diseases caused by SLC19A3 mutations and potentially life-threatening hidden deficiencies triggered by certain medications.
A new study reveals that etizolam and gabapentinoids contribute to a rising culture of polydrug use and increased drug-related deaths in Scotland. The analysis of 18 studies found a significant increase in gabapentinoid-related deaths, primarily due to concurrent opioid use.
Concordia researchers develop a novel method of 3D printing using acoustic holograms, capable of creating complex objects quickly and at once. This technique, called holographic direct sound printing (HDSP), stores information of multiple images in a single hologram, allowing for the creation of multiple objects simultaneously.
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.
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 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.