Articles tagged with Medicinal Chemistry
Researchers discovered Pradimicin A's molecular basis for binding to viral N-glycan, showing promise as an anti-SARS-CoV-2 drug. The compound inhibits SARS-CoV-2 infectivity by interacting with branched oligomannose-containing glycans.
Researchers develop new method to create azetidines, a stable form of heterocycle that don't oxidize under physiological conditions, expanding toolkit for drug developers to improve medication safety and reduce side effects. This breakthrough enables the creation of more useful chemical transformations with better medical functions.
The University of Texas at Arlington's Junha Jeon is developing transition metal-free cross-coupling technologies using arynes to deliver medications safely and effectively. This project aims to improve the production of drugs, particularly for cancer treatment, by reducing impurities left behind by metals.
Scientists have created mirror-image cyclodextrins in the laboratory, which could make it easier to formulate and deliver complex medications. These discoveries may also lead to improved treatment of cardiovascular diseases caused by atherosclerotic plaques.
Scientists at King's College London have developed a rapid method for creating cyclic peptides, an important class of antibiotic molecules, which can be produced in minutes rather than hours or days. This breakthrough could inspire renewed efforts towards developing new antibiotics to combat antimicrobial resistance.
Researchers have successfully developed a broadly useful method for constructing gamma chiral centers on simple carboxylic acids using C-H activation. The new approach enables easy access to privileged structures for pharma industry drug discovery programs, potentially speeding up the development of new medicines.
This issue of Acta Pharmaceutica Sinica B features significant research on drug discovery, cancer treatment, and immunotherapy. The journal includes studies on targeting RAF dimers, oligomerization of drug transporters, and the role of bile acids in coronavirus disease.
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 in Brazil have developed a novel method to produce electrochemical sensors using fallen tree leaves, offering an eco-friendly alternative to conventional substrates. The sensors were successfully tested for detecting dopamine and paracetamol concentrations, demonstrating their potential for medical and laboratory applications.
Three FAU researchers have received $1M in FDOH grants to develop innovative approaches against Alzheimer's disease. Mare Cudic aims to explore the link between glycosylation and neuroinflammation, while Ruth Tappen develops an online screening tool for older drivers with cognitive decline.
Researchers identify TRMT10C enzyme causing methylation of ND5 mRNA, leading to mitochondrial dysfunction and reduced energy supply to the brain. Impairment of complex I in the respiratory chain contributes to Alzheimer's disease pathology.
Researchers at ETH Zurich have developed an AI algorithm that can design new active pharmaceutical ingredients by analyzing protein structures. The algorithm generates blueprints for potential drug molecules that increase or inhibit protein activity, reducing the need for lengthy discovery processes and minimizing side effects.
A team of researchers from MSU and Harvard Medical School has created a promising vaccine candidate for antibiotic-resistant bacteria. The vaccine targets Staphylococcus aureus and methicillin-resistant Staphylococcus aureus (MRSA), with high levels of immunity observed in animal trials.
The University of Birmingham's Drug Discovery Hub has developed a novel approach to drug discovery, enabling projects to overcome the funding gap between original research and commercial investment. The hub has attracted over £4m in industry funding, grants, and awards, with a successful portfolio of projects.
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.
A team of scientists at Tokyo University of Science has discovered a novel substituent migration reaction that enables the creation of complex benzofurans. This breakthrough synthesis method uses alkynyl sulfoxide and trifluoroacetic anhydride to produce highly functionalized benzofurans with high yields.
Scripps Research chemists devise a new method for making saturated heterocycles from inexpensive starting chemicals. The researchers demonstrated the power of their new method by performing an efficient synthesis of stemoamide, a complex plant-derived compound found in traditional medicines.
Researchers at Insilico Medicine have developed a novel PTPN2/N1 inhibitor with improved oral absorption and robust antitumor efficacy using the company's generative AI engine. The new compound demonstrates enhanced biological activities compared to existing inhibitors, offering new treatment possibilities for cancer patients.
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 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.
Researchers discovered compounds with untapped therapeutic potential for treating BPH, melanogenesis, and nerve damage. Metformin restored sex hormone homeostasis, epimedin B stimulated pigmentation function, and hydralazine suppressed ferroptosis to aid in axon regeneration.
Researchers at McGill University have discovered a faster and safer method to test the movement of new drugs within the body. This approach accelerates the drug development process while reducing its risks.
Researchers develop innovative treatment to alleviate deleterious effects of hyperkalemia, a disease affecting 350 million people worldwide. The new mineral-based therapy uses ion transfer to flush excess potassium from the body, offering a safer alternative to existing treatments.
Researchers at Xi'an Jiaotong-Liverpool University developed a new method that enables the efficient production of cysteine-rich peptides and microproteins in their naturally folded 3D structure. The approach uses organic solvents to mimic nature's oxidative folding process, resulting in speeds of over 100,000 times faster than aqueous...
Researchers at the University of Texas at Arlington have developed a method to determine the clinical potency of psilocybin and psilocin in Psilocybe cubensis mushrooms. This technique uses liquid chromatography with tandem mass spectrometry, allowing for accurate extraction and measurement of the strength of the mushrooms.
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 research team has synthesized a cutting-edge manganese-fluorine catalyst with exceptional oxidizing power, capable of extracting electrons from compounds. The catalyst facilitates efficient electron loss from toxic toluene derivatives, marking a significant breakthrough in catalytic research.
Wunmi Sadik, NJIT's Distinguished Professor of Chemistry, receives the Wallace H. Coulter Lectureship for her lifetime commitment to education, practice, and research in laboratory science. She is recognized for her scientific breakthroughs in nanomaterials, green chemistry, and sustainability.
Scientists discovered a plausible pathway for the formation of protocells, suggesting that phosphorylation may have occurred earlier than expected. This finding helps understand how early evolution took place and sheds light on the origins of life.
Researchers at Hokkaido University have developed a new category of molecules that can undergo internal rotation on interaction with light, opening possibilities for photochemical switching functions and bioactive molecules. This breakthrough could lead to precisely targeted applications in biological systems and eventual therapeutic p...
A UCF-developed technology uses a plasmonic platform to detect the chirality of molecules with high precision, enabling more accurate drug development and therapies. The platform improves upon current methods with sensitivity nearly 13 orders of magnitude greater.
Researchers at North Carolina State University are developing a suite of performance metrics to standardize the evaluation of self-driving labs in chemistry and materials science. These metrics aim to compare different lab technologies and identify areas for improvement, ultimately advancing the field and accelerating discovery.
Researchers have created fluorescent, colour-changing dyes that can visualise multiple distinct biological environments using only one dye. These dyes enable 'time travel' within cells by allowing scientists to distinguish between cellular and delivery vessel environments in real-time. The breakthrough has significant implications for ...
Researchers at Tokyo University of Science achieve first total synthesis of merrillianin, a complex sesquiterpene with potential anti-rheumatic activity. The breakthrough method involves 30 reaction steps and could lead to the development of new treatments for nervous system diseases.
Scientists have developed a cage-like molecule to trap sulfate in water, which could help control its concentration in health, industry, and environmental management. The molecular trap can be prepared inexpensively from off-the-shelf chemicals and has potential applications in medicine, such as treating cystic fibrosis.
Researchers developed a new reagent called t-BuSF to improve the synthesis of sulfur-containing compounds used in medicines. The use of t-BuSF decreased reaction times and improved stability, enabling efficient production of these compounds.
A team at Pohang University of Science & Technology has successfully created the world's first plumber's nightmare structure in block copolymers, a complex configuration where polymer chain ends coalesce inward. This achievement showcases the potential for self-assembly in block copolymers and opens up new possibilities for materializi...
Researchers at Insilico Medicine have identified MYT1 as a promising therapeutic target for breast and gynecological cancers. A series of novel, potent, and highly selective inhibitors specifically targeting MYT1 were discovered using AI-driven generative biology and chemistry engine.
Researchers from Scripps Research have developed a small molecule that blocks the activity of SLC15A4, a protein linked to autoimmune diseases like lupus and Crohn's disease. The compound, FFF-21, successfully reduced inflammation in mouse models and isolated cells from people with lupus.
The new method reveals critical information about how to target proteins with small molecules, identifying over a thousand new locks and corresponding keys. This breakthrough could lead to the development of more effective therapeutics for nearly any human disease.
Researchers at Scripps Research have found a way to modify picrotoxinin, a plant-derived toxin, with improved properties, making it easier to synthesize and modify. The modified version, 5Me-picrotoxinin, shows better chemical stability and is safer for humans.
Researchers at UTA discovered that using carbonated water in chromatography reduces the technique's Analytical Method Greenness Score (AMGS) making it safer for the environment. The study also showed that carbonated liquids are just as fast and efficient as other liquids used in chromatography.
Researchers have identified promising treatment candidates for morphine tolerance and cancer, as well as a biomarker for kidney injury. A monoclonal antibody targeting the mu-opioid receptor has been shown to alleviate morphine tolerance and physical dependence, while inducing excessive mitochondrial fission in tumor cells. Additionall...
Researchers have decoded the factor driving rapid growth of T cell lymphomas, revealing a 'sugar appetite' that triggers processes leading to tumor growth. The discovery provides new hope for treating aggressive cancer types, with existing medications potentially effective against these tumors.
Researchers have provided new details on structures resulting from 3D domain swapping in antibody light chains, shedding light on mechanisms of protein aggregation. The study suggests that the formation of tetramers may prevent protein aggregation by decreasing flexibility.
The Janelia Fluor dyes have become a staple in biology labs worldwide, and the team has now expanded their spectrum with a new set of far-red shifted dyes that can penetrate deeper into tissue. The researchers developed a novel chemistry to synthesize these dyes, enabling them to create dozens of functional versions relatively quickly.
Researchers discovered the PanH enzyme, which catalyzes the selective epoxidation of cyclohexenones, a challenging reaction to achieve through chemical synthesis. The study shows that this enzyme can produce a large library of substances with improved and more specific activities in biomedical research.
Researchers at the University of Bath have created a novel bacterial system to mass-produce cyclic proteins and peptides, addressing a significant bottleneck in the development of new therapeutic treatments. By harnessing the natural cyclization process from the Oldenlandia flower, they improved heat and chemical stability, as well as ...
Scientists at ETH Zurich used AI to analyze data from 1,380 borylation reactions and predict optimal synthesis methods for new drugs. The model was tested on six known drug molecules and showed a success rate of five out of six cases.
Researchers at University of Eastern Finland developed a new method for accurate determination of water content in water-soluble compounds, utilizing solution-state nuclear magnetic resonance spectroscopy. The method is simple, accurate and quick, with results comparable to traditional methods like TGA and X-ray crystallography.
Researchers at Texas A&M University have developed a miniature, injectable glucose biosensor and wearable device that enables user-friendly, minimally-invasive continuous glucose monitoring. The device addresses challenges associated with existing CGMs, including size and skin tone compatibility.
Researchers at Purdue University have developed a novel cancer immunotherapy compound that targets the enzyme TC-PTP, found in both cancer cells and T cells. Deleting this enzyme promotes antigen presentation, alerting the immune system to tumor cells, while stimulating T-cell activation enhances their ability to fight and destroy tumors.
Researchers have created a reliable and efficient method to add fluorine to molecules, increasing pharmaceutical drug efficiency. The iron and sulfur-based reaction enables the release of fluorine from carboxylic acids and its incorporation into alkenes, common building blocks for drugs.
Researchers at the University of Illinois have developed a new antifungal molecule that targets fungal cells without harming human kidney cells or other tissues. The molecule, dubbed AM-2-19, has shown significant efficacy against various fungal infections in vitro and in vivo studies.
Researchers successfully developed a novel method for transforming atropisomers into specific enantiomers using the Pauson–Khand reaction. The reaction achieved high enantiomeric excesses and selectivity, opening up new avenues for synthesizing pharmaceutical compounds.
A new yeast-based screening method has been developed to unravel how plants synthesize medicinal compounds, identifying key enzymes in a kratom tree. The method complements traditional approaches by capturing protein-protein interactions between plant enzymes.
Researchers used deep learning to identify dihydroartemisinin as a potential osteoporosis treatment that maintains mesenchymal stem cell stemness and produces more osteoblasts. The study found that administering DHA extract for six weeks significantly reduced bone loss in mice with induced osteoporosis.
A multidisciplinary team investigates hospital wastewater samples and demonstrates the effectiveness of photocatalytic treatment in reducing pharmaceutically active compounds and bacteria. The study highlights the challenges posed by antibiotic-resistant bacteria and suggests a promising step towards sustainable wastewater treatment.
Researchers at UTSA are studying the bioactive properties of Sweet Annie, a plant used in traditional Chinese medicine for over 2,000 years. The study reveals that arteannuin B from the plant has anti-COVID and anti-glioblastoma properties, offering new avenues for targeted therapy.
Scientists have extended a powerful molecule-building method to the broad class of chemicals known as alcohols, enabling the transformation of simple alcohols into useful molecules. The new approach uses weak interactions between ligands and starting molecules, similar to those used by enzymes in nature.