Articles tagged with Drug Design
Researchers at the University of São Paulo found that anti-cancer molecules effective against malaria parasites, eliminating them at both the asexual and gametocyte stages of development. This discovery paves the way for the development of new effective drugs.
Researchers from Shibaura Institute of Technology used molecular simulations to investigate how an enzyme's shape affects molecular recognition and ligand retention. They found that enzyme shape influences ligand retention, with 75.6% of trajectories in the closed group retaining ligands compared to 55.1% in the open group.
A new drug, Kamuvudine K-9, has been shown to preserve nerve fibers and halt neurological damage in a mouse model of multiple sclerosis. The drug, derived from HIV drugs, has been found to be more effective than existing treatments in restoring function and reducing inflammation.
New York University researchers have trained an AI model to predict stable tautomers in drug-like molecules, addressing a challenge in molecular design. The model, released as an open-source tool, can analyze large molecular libraries and identify correct tautomer assignments.
The conference will explore next-generation biologics and immunotherapies, targeted protein modulation, and emerging therapies for oncogenic drivers. Experts will discuss the role of artificial intelligence in accelerating therapeutic development.
Researchers developed a flexible metal–organic framework, APF-40, to analyze large pharmaceutical molecules with complex structures. The framework enables the determination of structures from microgram-scale samples, aiding drug discovery and natural products research.
The 21st Century Cures Act led to a significant decrease in the number of studies relied on for FDA approvals, from 3.41 to 1.39, between 2016 and 2024. This shift has raised concerns about the safety and effectiveness of new therapeutics.
Surzen Biotherapeutics aims to develop effective pain relief without severe side effects by targeting opioid receptor pathways differently. The company plans to use peptides to block dimerization, reducing tolerance and improving efficacy.
Researchers have identified a widespread source of error in a popular genome study method and created a machine-learning tool to correct it. PATTY uses machine learning to reduce artifacts while preserving real signals in noisy data, giving researchers a clearer view of gene activity control.
Researchers at Texas A&M University have found a way to intervene early in traumatic brain injuries using a natural, gut-derived chemical that prevents post-traumatic epilepsy from taking root. The treatment reduced brain inflammation, improved memory and mood, protected brain cells, made seizures both rarer and harder to trigger.
Scientists at King's College London have developed a human-safe drug that repairs DNA breaks and reduces inflammation in a mouse model of Alzheimer's disease. This approach targets multiple features of the disease simultaneously, providing a broader therapeutic strategy than previous approaches focused on individual disease hallmarks.
Researchers developed a human-safe drug that repairs DNA breaks and reduces inflammation in a mouse model of Alzheimer's disease. The approach targets multiple disease-relevant cellular pathways, providing a broader therapeutic strategy than previous approaches focused on individual disease hallmarks.
Researchers at Texas A&M University develop a laser technique called TRIP to directly measure quantum forces shaping proteins, enabling accurate prediction of how pharmaceutical drugs interact with them. This breakthrough could lead to the design of medicines tailored to specific diseases, revolutionizing precision medicine.
Researchers designed Linafexor, a non-bile-acid FXR agonist with pulsatile activation, to mimic the body's natural rhythms. In preclinical models, Linafexor significantly improved markers of liver injury and inflammation, while achieving intended pulsatile exposure synchronized with bile-acid rhythms.
Researchers at the University of Houston have discovered adding salt can help release therapeutic material from endosomes, improving delivery efficiency for mRNA vaccines and gene therapies. The simple strategy overcomes a major obstacle in gene medicine, potentially making these therapies more efficient and accessible worldwide.
The University of Virginia has joined SPARK GLOBAL to leverage resources and expertise in accelerating the development of new medicines. This collaboration aims to reduce time from lab discoveries to clinic trials, delivering tangible healthcare solutions to patients.
A large-scale Phase 3 trial of CRISPR therapy has shown an 87% reduction in attacks for patients with hereditary angioedema. The treatment also improved quality-of-life scores and reduced the need for on-demand medication, paving the way for future genetic therapies.
Scientists create a moiré metasurface to map right- and left-handed regions in materials, visualizing chirality as two-dimensional images. The new approach resolves chirality distributions with a resolution of approximately 100 μm.
Researchers at IRB Barcelona used AI to design new chemical entities that selectively target specific cell types, demonstrating superior activity compared to conventional screening strategies. The methodology, called phenotypic discovery, uses observable responses in cells rather than a specific molecular target.
The study identified amino acids crucial for ligand selectivity in two groups of receptors, β-adrenergic and D1-like dopamine receptors. By modifying these amino acids, the researchers made each receptor prefer its native ligand. The findings suggest that regions outside of the primary binding site also play a role in selectivity.
A team of researchers has uncovered a promising new target for antimalarial drug design, identifying an enzyme called aminopeptidase P from the Plasmodium falciparum parasite. The new inhibitors have been shown to bind more strongly and selectively than existing compounds, demonstrating potential as a new class of drugs to combat malaria.
The UK-led OpenBind initiative has released its first publicly available dataset and predictive AI model, accelerating the discovery of new medicines using artificial intelligence. The release showcases high-quality, standardized experimental data and a trained predictive model, enabling researchers worldwide to drive the next generati...
A multi-institutional team led by Sanford Burnham Prebys aims to develop a non-opioid pain therapeutic using lead molecule SBI-810. The effort, funded by a $3.9 million NIH grant, seeks to optimize the compound into a drug that could provide effective pain relief without addiction risks.
A research consortium has developed mini-antibodies that can reactivate mutated p53, a key tumor suppressor protein. These DARPins bind selectively to p53 mutants, restoring stability and functionality, making them potentially useful against various types of tumors.
Researchers Dr Íris Luz Batalha and Dr Maria Shchepinova from the University of Bath have been awarded funding to test new ideas in tackling global health challenges. They will develop precision-targeted therapies for antimicrobial resistance and investigate why treatments for Type 2 diabetes don't work for everyone.
A new Cochrane review of 17 clinical trials found that anti-amyloid Alzheimer's drugs have no significant impact on cognitive decline or dementia severity, but may increase the risk of brain swelling and bleeding. The evidence suggests that these drugs are unlikely to provide clear benefit to patients.
Researchers found that squalene-based adjuvants activate distinct pathways for vaccine protection and reactogenicity, including the role of IL-1β in enhancing efficacy and IL-1α in triggering local swelling. The study's findings could lead to safer vaccine design by targeting specific immune mechanisms.
Four Ontario-based research teams are receiving funding to develop next-generation cancer therapies with improved efficacy and reduced side effects. The projects focus on breast and ovarian cancers, a hard-to-treat form of leukemia, and a 'master regulator' protein involved in many different cancers.
Scientists at the University of Virginia Health System have developed a suite of AI-powered tools, called YuelDesign, YuelPocket and YuelBond, to transform how new drugs are created. These tools can design drug molecules tailored to fit their protein targets exactly, even accounting for protein flexibility.
Researchers have created a 3D experimental system to study the response of low-grade gliomas to drugs, providing a more realistic environment for testing treatments. The system uses organoids from pluripotent stem cells to replicate glioma development and characteristics.
Researchers have created a detailed molecular map of the thromboxane A2 receptor, which could lead to the development of safer and more effective therapies targeting this clinically important signalling system. The study reveals an unusual activation switch and provides insights into how signalling molecules interact with the receptor.
Researchers have identified a framework to characterize RNA structure-changing small molecule drugs, which could lead to the development of better treatments targeting RNA directly. The study found that molecules binding to RNA rarely affect its function, while those altering its structure have a bigger impact.
The companies are leveraging generative AI to develop innovative candidates for challenging neurological diseases, aiming to provide a broader range of therapeutic options. Insilico's Pharma.AI platform and Tenacia's expertise will continue to generate innovative solutions with strong translational potential.
Southwest Research Institute's new facility supports pharmaceutical development, bioengineering research, and streamlined clinical supply production. The facility enhances regulatory efficiency, quality systems, and communication between scientists.
Researchers have developed a low-cost fake drug detector that uses an infrared sensor to track pill dissolution rates. The device can identify legitimate medications from counterfeit ones with high accuracy, making it a valuable tool in the fight against global health threats.
A team of researchers at MSU used machine learning to predict how chemicals will influence gene expression, leading to the discovery of promising compounds for the treatment of liver cancer and a chronic lung disease. The study results from years of interdisciplinary work across multiple disciplines and institutes.
Researchers engineered Escherichia coli Nissle 1917 bacteria to produce anticancer agent Romidepsin, which was released from the bacteria and effectively targeted cancer cells in mouse models. The study establishes a solid foundation for bacteria-assisted tumor-targeted therapy, paving the way for future advancements in cancer treatment.
A new clinical trial will investigate whether adding the oral medication vorasidenib to standard chemotherapy improves progression-free survival for people with newly-diagnosed, grade 3 IDH-mutant astrocytoma. The study aims to recruit 400 individuals with this type of brain cancer and evaluate the safety and side-effect profile of the...
Researchers discovered yaku'amide B induces CD9 degradation, a cancer stem cell-related protein, in addition to inhibiting ATP synthase, leading to cellular energy depletion and cancer cell suppression. This natural compound has potential as a new therapeutic approach for cancer treatment.
The Alliance for Clinical Trials in Oncology is spotlighting new trials for colorectal cancer in March, focusing on early detection methods and treatments for treatment delays and loss of appetite. The trials aim to improve patient outcomes, with several enrolling patients with newly diagnosed colon or rectal cancer.
Researchers at Goethe University are developing non-hormonal contraceptives to address declining pill use and side effects. The PREVENT project aims to create safe and effective alternatives, focusing on small molecules that block proteins in sperm or egg cells.
A new study finds that a novel GLP-1 receptor agonist, Exendin-4-Phe (Ex-Phe-1), preserves glycemic control while reducing malaise and vomiting behaviors in preclinical models. The compound uses biased agonism to selectively activate certain signaling pathways, achieving desired effects without triggering others.
A UC Santa Barbara research team has developed a method to efficiently synthesize non-natural amino acids and apply them to peptide construction. This technique provides greater access to amino acids beyond the 22 found in nature, opening up new possibilities for biochemists, medical researchers, and materials scientists.
Researchers developed a free-to-use software tool, PSBench, to verify the accuracy of artificial intelligence-based protein structure predictions. The database includes 1.4 million annotated protein models, verified by experts, and provides reliable information for building more accurate AI systems.
Researchers investigated the binding thermodynamics of doxepin geometric isomers to the histamine H1 receptor, revealing differences in enthalpy and entropy contributions. The study highlights the importance of considering conformational constraints in designing ligands with optimized thermodynamic properties.
A new HPV cancer vaccine developed by Northwestern University scientists has shown promising results in a preclinical model. The vaccine's carefully organized structure dramatically enhances the immune system's ability to attack tumors, shrinking them and extending animal survival.
The University of Missouri has launched its first human clinical trial using Eye90 microspheres, a radiopharmaceutical breakthrough device manufactured on campus. The study aims to assess the safety and effectiveness of Eye90 in treating unresectable liver tumors, including hepatocellular carcinoma and metastatic colorectal cancer.
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.