Articles tagged with Drug Design
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.
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 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.
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 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 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 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.
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.
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 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.
Tampere University has licensed a drug molecule intended for treating Epidermolysis Bullosa, a group of rare and severe skin disorders. The licensing agreement includes collaboration with Theravia to develop, register and commercialise the drug.
Researchers created optimized DNA hydrogels with fewer nucleic acids, achieving efficient and sustained drug release. The new hydrogel units showed prolonged persistence of at least 168 hours post-administration in mice, contributing to anti-tumor effects.
A team from Tokyo University of Science developed a novel trivalent platform for triple click chemistry, allowing for the efficient synthesis of complex compounds. The approach utilizes simple initial materials and promotes sustainable pharmaceutical synthesis.
Insilico Medicine has nominated 22 developmental candidates, with 10 progressing to human clinical stage, demonstrating efficient drug discovery using generative AI. The company's platform reduces developmental times, cost, and resource allocation, setting a new standard for the industry.
Researchers developed a 3D microscopic version of the human intestines on a chip, allowing for real-time examination of gut microbes' interactions with the human intestine. The 'Gut-Microbiome on a chip' model enables the study of complex interplay between gut microbes and health, facilitating targeted microbiome-based interventions.
A new study suggests that delivering tenecteplase directly into a large brain artery after removing a blood clot can improve stroke survivors' function 90 days later. The treatment, which was tested in 127 patients, showed promising results compared to standard medical care.
A new quantum-classical approach has been developed for designing photochromic materials, accelerating the discovery of novel compounds. The method identified five promising candidates with key properties essential for photopharmacology applications.
Researchers at the CNIC have designed a treatment strategy to protect the heart against cardiotoxic effects of anthracyclines, a common class of anticancer drugs. Empagliflozin, an SGLT2 inhibitor, has been shown to preserve cardiac function and metabolism in experimental models.
Researchers at the University of Maryland discovered multiple pathways for dsRNA molecules to enter cells, challenging previous assumptions about RNA transport. They found that a protein called SID-1 plays a key role in regulating genes across generations, which could lead to better targeted treatments for human diseases.
PairMap overcomes limitations of traditional methods by introducing intermediate compounds to predict binding affinities with high accuracy. The approach minimizes calculation errors, improves convergence, and reduces computational costs for complex transformations.
A Texas A&M University researcher found that reducing alcohol consumption aligns with a harm reduction approach, which may be a more feasible approach for high-risk college drinkers. The study surveyed 822 high-risk college students and analyzed their intention to reduce drinking using the Theory of Planned Behavior.
Researchers develop BEND lipids to improve LNP mRNA delivery and gene editing by breaking through the endosomal membrane. The new lipids outperform existing LNPs used in COVID-19 vaccines, with improved efficacy rates up to tenfold.
The team's novel technique enables high-throughput screening of nanoparticle shapes, sizes, and modifications, reducing associated screening costs. The research demonstrates the distinct preferences of tumour cells for certain nanoparticle configurations, enabling personalized cancer treatments that are safer and more effective.
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 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, ...
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.
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.
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.
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 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.
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.
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.
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.
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.
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.
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.
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.
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.
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...
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.
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.
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.
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.
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.