All Medicinal Chemistry articles
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NewsAI platform models protein flexibility to accelerate drug design
A new artificial intelligence platform developed at the University of Virginia addresses a critical limitation in computational drug design by modelling protein flexibility during molecular interactions. The suite of tools uses diffusion models to generate drug candidates whilst accounting for induced fit dynamics, potentially improving success rates in early-stage development.
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NewsInsilico announces ISM6200 AI-designed drug candidate for ovarian cancer and cortisol disorders
Insilico Medicine has nominated ISM6200, a preclinical drug candidate designed using generative AI to target NR3C1, a receptor involved in cortisol regulation.
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NewsMassey Cancer Center funds drug discovery projects targeting Hsp27-CerS1 and ferroptosis pathways
The VCU Massey Comprehensive Cancer Center has awarded $50,000 each to two innovative drug discovery projects through its collaborative programme with Sanford Burnham Prebys Medical Discovery Institute.
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NewsMolecular map reveals thromboxane receptor structure for new blood clotting drug development
International researchers have mapped the structure of the thromboxase A₂ receptor using cryo-electron microscopy, revealing some unexpected activation mechanisms.
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ArticleAI builds dual-action cancer drug targeting PKMYT1
Research published in Nature Communications shows how generative AI can be used to design complex dual-action cancer drug candidates. Insilico Medicine has developed a PKMYT1 degrader that both eliminates the target protein and blocks its activity, demonstrating the growing role of AI in advanced drug discovery.
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NewsMirrored molecules target disordered proteins in Alzheimer’s disease
Researchers at Kobe University have developed a novel approach to Alzheimer’s disease treatment by engineering right-handed amino acid chains that bind to amyloid-beta proteins. The method, inspired by materials science principles of chirality, demonstrated effective inhibition of toxic protein aggregation in mouse brain cell cultures, maintaining cell viability where amyloid-beta alone reduced it by 50 percent.
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NewsLight-driven chemistry offers faster, greener drug design
Scientists at the University of Cambridge have developed a light-powered method to modify complex drug molecules without toxic chemicals, enabling faster, cleaner and more efficient drug development.
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NewsNew AI tool could accelerate drug discovery and cut lab costs
Scientists have developed a machine learning system that can predict how complex chemical reactions will produce the correct molecular form for medicines.
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InterviewHow self-driving labs are changing drug development
Automation and artificial intelligence are changing how scientists design, test and refine new molecules. At the University of Toronto, Stuart R Green and the Acceleration Consortium are building a self-driving lab that could change the pace of early drug discovery.
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ArticleDisrupting the biologics market through innovations in macrocycle R&D
New macrocycle technologies are turning a once difficult drug class into a scalable engine for developing potent oral therapies.
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NewsNew study revives long-doubted target for depression drugs
Researchers have shown that changing the molecular structure of NK1 receptor antagonists may restore antidepressant effects after decades of failed trials.
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NewsAI-powered CKD drug ISM4808 licensed for kidney disease therapy
Insilico Medicine has partnered with TaiGen Biotechnology to exclusively license its AI-designed PHD inhibitor, ISM4808, for the treatment of CKD-related anaemia in Greater China.
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ArticleChemistry-aware AI offers new routes in small molecule design
AI has advanced molecule design, yet synthetic feasibility remains a bottleneck. Chemistry-first approaches offer a practical way forward.
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ArticleInside Zasocitinib: a new model for TYK2 inhibition in immune-mediated diseases
Zasocitinib is a highly selective, investigational TYK2 inhibitor developed to target immune-mediated diseases with fewer off-target effects than traditional JAK inhibitors. This article explores its mechanism, selectivity data and clinical progress.
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ArticleFrom injections to pills: oral peptides set to transform drug development
Oral peptide-based drugs are set to revolutionise the pharmaceutical industry, overcoming the long-standing challenge of poor bioavailability. Santosh Kulkarni reveals how new breakthroughs in drug discovery and delivery offer the potential for more convenient, effective treatments for a range of conditions – without the need for injections.
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ArticleHow AI is quietly changing drug manufacturability
AI is moving beyond drug design to answer a critical question: can a promising compound actually be manufactured at scale? By predicting synthetic feasibility early, machine learning tools are helping drug developers avoid costly failures, streamline R&D and design molecules that are both effective and practical to produce.
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News
New class of chiral molecules offers strong stability for drug development
Scientists have created a new class of ultra-stable chiral molecules – a discovery that could lead to more precise drug design by preventing potentially harmful molecular “flipping” over time
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ArticleFixing drug discovery’s most persistent problem with AI
AI will not replace drug discovery, but it might finally fix one of its most frustrating bottlenecks. Read how a targeted approach to ADMET is cutting through the noise.
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NewsHow one carbon atom is changing drug development
Researchers at the University of Oklahoma have found a way to improve drugs by adding just one carbon atom. This simple change could speed up drug discovery and lower costs.
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ArticleShifting the ADC focus from antibody to payload
While ADCs continue to attract attention in oncology, many developers remain focused on antibodies – overlooking the critical role of payload design. At Sygnature Discovery, Dr Joshua Greally is leading a shift in perspective, advocating for a payload-first approach through the company’s new platform, NewPath ADC. In this interview, he ...