Drug Discovery

Highlights from a recent CAS Insights webinar on AI in medicinal chemistry. How CAS BioFinder was used to assist in target prediction for bioactive compounds.

Cyclic peptides are improving treatments for cancer, inflammatory and infectious diseases, and more as oral delivery methods are improved.

Spiro[2.3]hexanes are an example of promising yet challenging scaffold structures for new drug compounds. By using AI-powered predictive analytics with CAS BioFinder, researchers more efficiently identified candidates for validation.

CAS hosted Life Sciences Summits across three regions in 2025, exploring practical AI integration in drug discovery. Learn about data governance, implementation barriers, and modality-specific challenges.

From microbiome breakthroughs to AI-powered simulations, this CAS Insights webinar recap explores the latest drug discovery trends shaping pharmaceutical research.

Nuclear medicine's theranostics approach enables "see it, treat it" cancer therapy using the same agents for diagnosis and treatment. Investment tripled to $14.86B in 2024 as these precision treatments move to early-stage care.

Explore eight leading trends in drug discovery that are improving cancer treatment, identifying neurodegenerative conditions, and even preparing for a future pandemic

Since many catalysts and reagents show sensitivity to moisture, water was often excluded as a potential solvent. Now, it appears that many organic transformations can be achieved either in water or on water without using harmful chemicals or volatile organic compounds as solvents.

MAIT cells are a relatively new discovery compared to other types of unconventional T cells, and researchers are making progress using them as “off-the-shelf” immunotherapies.

Conventional diabetes treatment focuses on regulating blood glucose levels, not reducing or treating its complications. But new stem cell therapy strategies could result in more effective and long-lasting treatments.

Advances in nanoscale drug delivery systems are addressing current microRNA therapy issues, which may lead to its becoming a more widely leveraged delivery method.

Preview the new CAS report, "Lipid-Based Drug Delivery Systems: Unlock the Future of Drug Delivery," with a snapshot of what we uncovered—the designs of the most commonly cited lipid-based DDS.

COVID-19 was the catalyst for large-scale mRNA vaccine development. Read about how this technology is now on a long-term path of to address a range of challenging diseases.

A visual infographic provides details about GLP-1 receptor agonists and GIP polypeptide drugs for weight loss.

Small molecule PPI inhibitors are on the brink of improving cancer treatments

PROTACs are driving small molecule drug development to treat cancer, neurodegenerative diseases and more

Discover how CAS leverages advanced data management and predictive models to revolutionize drug discovery in this conversation with industry leaders.

While CAR-T cell therapy is mostly used for cancers, it has shown promising results in treating autoimmune diseases, HIV, and more

The GIP and GLP-1 function shows promising results in treating cardiovascular and neurodegenerative conditions.

Nanoscale drug delivery systems can improve treatment for cancer, autoimmune diseases, HIV, and other conditions

How combination therapies including drug repurposing, cell therapy, and genetic therapy are leading to improved treatment of rare diseases.

Sharing new research on inverse vaccines, potential new breakthroughs in treating autoimmune diseases like multiple sclerosis, type 1 diabetes and celiac disease

Biomarkers, personalized medicine and gene therapies are fueling research breakthroughs. Discover new treatments targeting genetics and protein buildup to manage this devastating disease.

Different types of antisense oligonucleotide therapies, such as exosomes and nanoparticles, offering new hope in genetic medicine.

While no cure exists for PolyQ diseases like Huntington's, new breakthroughs, therapies, and research could change that.

Immunotherapy is advancing with new approaches like CAR-T cell therapy, antibody-drug conjugates, and even checkpoint inhibitors.

Immuno-oncology has the potential to treat cancer without sacrificing the patient's wellbeing.

Covalent inhibitors were once avoided due to negative side effects, but new drugs have changed the landscape.

More than 100 antibody-drug conjugates are in clinical trials. These therapeutics combine the targeting abilities of antibodies with the power of chemotherapy to change cancer treatment.

Since 2018, research interest in antibody-drug conjugates has increased exponentially, due to their potential in the fight against cancer.

We talk with Jefferson Parker of NullSet Informatics Solutions, about sequence analysis for drug discovery and the frontiers for AI in computational biology.

Induced-proximity target protein degradation (TPD) is a ground-breaking strategy in drug discovery that has emerged recently.

We chat with Ben Taft, Sr. Director of Chemistry at Via Nova Therapeutics, about SAR studies and the possible frontiers for bioactivity data.

Landscape view of emerging contributors, companies, and researchers in the emerging field of exosome research. This article overviews key players in diagnostics and therapeutic fields of exosome research with a deeper look into the current clinical pipeline.

The ACE2 protein is the critical target for COVID-19 and other viral infections, and this knowledge has led to new therapeutics.

Exosomes could revolutionize drug delivery and diagnostics, but face isolation and purification challenges. This article explores recent trends in exosome research, focusing on their applications in drug delivery, diagnostics, and therapeutics. Discover how these unique particles are shaping the fut

The FDA can designate drug candidates as “breakthrough therapies” (breakthrough therapy designation or BTD) for certain drug candidates that demonstrate substantial improvement over available therapies on a clinically significant endpoint.

Bioorthogonal chemistry is a set of methods that use the chemistry of non-native functional groups to analyze biology in living organisms.

Explore lipid nanoparticles: from origins to COVID vaccines and beyond. Discover emerging trends in publications and milestones. Uncover future applications in vaccines, drug delivery, and non-therapeutic fields like agro-chemistry, cosmetics, and food science. Learn how these particles are shaping

Learn more about cytokine storms and their role in both immunity and severe infection with COVID-19 and additional viral infections. This overviews emerging trends and insights on publications, milestones, and future applications to minimize the impact of cytokine adverse effects.

Expert panelists include Dr. Benjamin Ebert, the chair of Medical Oncology at the Dana-Farber Institute, Dr. Phil Chamberlain, the co-founder, President, and CEO of Neomorph, and Janet Sasso, an information scientist specializing in Life Sciences at CAS.

When mRNA (messenger RNA) vaccines are injected into a patient, tiny lipid vesicles transport mRNA molecules through the body fluids and merge with immune cells, called antigen-presenting cells (APCs).

Find out how companies improve their prediction accuracy, obtain Breakthrough Technology Status and shorten the development and review time of new drugs by leveraging CAS advanced machine learning methods.

This blog details the recently published CAS indicator of drug innovation based on the structural novelty of new molecular entities (NMEs) which may better assess innovativeness of new drugs.

Scientists are searching ways to stop the spread of COVID-19, and the ACE2 receptor is one of the most promising targets.

Bioorthogonal chemistry is a set of methods using the chemistry of non-native functional groups to explore and understand biology in living organisms.

This insight report explores innovative research and technologies that played crucial roles in Covid-19 vaccine development.

This insight report explores innovative research and technologies that played crucial roles in Covid-19 vaccine development.

It is estimated that one in five human cancers involve RAS mutations. Although once considered undruggable, this blog looks at recent advances in RAS inhibitors and emerging therapies.

The COVID pandemic revealed deficiencies in mask development and production. Innovation will be crucial in slowing the spread of new variants of the virus.

As COVID-19 cases rise again worldwide, the Omicron subvariant BA.5 is currently the dominant strain. This blog explores some key mutations that increase transmission, evade protective antibodies, and increase the rate of (re)infection.

Targeted protein degradation is a novel and quickly expanding drug discovery strategy. It is a new way of utilizing disease-causing proteins to attack severe illnesses, which has the potential to be used among more serious illnesses, such as cancer or neurodegenerative diseases.

Artificial intelligence (AI) and machine learning have been growing exponentially over the last decade, but how has the field of Chemistry evolved with this emerging trend?

The use of RNA in therapeutics has the potential to revolutionize medicine. This white paper highlights the emerging trends in the industry.

Lipid nanoparticles play critical roles in mRNA vaccines for treating COVID-19, but their use is not new. Read about past, present, and future opportunities.

The last decade has seen a dramatic shift towards RNA-based medicine. Rapid success in developing lipid-RNA nanoparticles for COVID-19 mRNA vaccines, along with several approved drugs, has propelled RNA to the forefront of pharmaceutical research and development. Explore this revolutionary trend.

This white paper details the CAS Biomedical Knowledge Graph and shows how it was used in drug discovery for COVID-19.

Learn about the important functions of intrinsically disordered proteins and the key role they play in COVID-19 therapy.

This blog lists and discusses the common ingredients (both in the household and scientific contexts) as well as the unique ingredients used in the Covid-19 vaccines currently in use in the United States, and also addresses the dosage levels proposed for children under five years of age.

Omicron's significant evolution from the original COVID-19 virus raises concerns about reinfection and vaccine evasion. This variant could potentially bypass existing immunity, threatening global pandemic recovery efforts. Explore the potential societal and economic impacts of this new challenge.

The methodology behind CAS knowledge graphs enhances potential drug identification for COVID-19 treatment and other diseases.

The COVID-19 pandemic has motivated researchers across the globe to find effective drugs and therapeutics for treating the disease.

In recent years, AI application to chemistry has rapidly grown. While there has been numerous publicity about AI used in this manner, there hasn’t been a lot of in-depth analysis on its use and development in the chemistry field.

Lipid nanoparticles (LNPs) have emerged as promising vehicles to deliver a variety of therapeutics in the pharmaceutical industry. Liposomal drugs, based on an earlier version of LNPs, have already been approved and applied to medical practice.

This report reviews Covid-19 vaccine research, compares the underlying technologies, the use of adjuvants and delivery systems in their application, and provides a perspective on their future direction.

Artificial Intelligence may be hot right now, but the smart money is investing in data. See how CAS solutions can help.

Learn how machine learning procedures and CAS COVID-19 resources, including scientific insights, open access datasets and special reports are assisting in the research to fight against COVID-19.

To identify potential anti-SARS-CoV-2 therapeutics, CAS scientists are building machine-learning predictive models to identify novel drug candidates for the viral targets 3 chymotrypsin-like protease (3CLpro) and RNA-dependent RNA polymerase (RdRp).

In support of ongoing research efforts to identify additional drugs for COVID-19, a team of CAS scientists analyzed published scientific information and created a comprehensive report focusing on proteins involved in COVID-19 and potential corresponding drug candidates.

This report aids COVID-19 therapeutic research by summarizing protein targets and potential drug candidates. It includes bioassay and structure-activity relationship data from scientific and patent literature for COVID-19 and related viral infections. Explore key insights to support ongoing drug dev

A critical step in the race to develop treatments for COVID-19 is to gain a clear understanding of how the virus enters our cells. This insight will support development of targeted antiviral treatments focused on blocking that pathway.

To provide a better understanding and comparison of the diagnostic tests available in the fight against COVID-19, CAS has produced a report summarizing the basic principles of molecular and serological assays being used in diagnostic tests for SARS-CoV-2.

To support R&D on COVID-19, CAS has produced a special report to provide an overview of published scientific information with an emphasis on patents in the CAS content collection.