Medicinal Chemistry Research
Our researchers are at the forefront of drug discovery and development across a wide range of specialties.
Their work produces innovative solutions to some of the most pressing health challenges of our time.
Focus Areas
Allosteric Interactive Drugs
Our researchers are focusing on allosteric proteins to create drugs with fewer side effects. By studying proteins like hemoglobin and enzymes, they are designing new treatments for diseases such as cancer, hypoxia and sickle cell anemia. Notable research at the school in this area includes the discovery of RSR-13, 5-HMF and ILX-002. RSR-13 underwent a phase three clinical trial as a radiation sensitizer for the treatment of cancer; 5-HMF studied in a phase I/IIa clinical trial, while ILX-002 is undergoing a late state IND-enabling studies, both compounds for the treatment of sickle cell disease.
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Anti-Cancer Therapeutics
The goal of this research is to create drugs that advance a personalized approach to the diagnosis and treatment of cancer. Our researchers are working on the development of anti-cancer therapeutics that target and eliminate only cancer cells, leaving healthy cells unharmed. Their innovative work on inhibitors for cancer-related proteins like CtBP and tubulin has shown promising results in preclinical models.
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Anti-HIV Therapeutics
Despite advancements in treatment, HIV remains a significant threat because of its impact on the nervous system. Our researchers are actively studying NeuroAIDS, neurological complications associated with HIV infection, in order to develop novel inhibitors to prevent the virus from infecting the brain.
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Anticoagulants and Enzyme Mechanisms
Our scientists are developing targeted blood thinners by selectively targeting the unique features of coagulation proteases. This area of research aims to create safer, more effective anticoagulants by targeting specific enzymes in the blood clotting process.
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Behavioral Effects of Drugs
Studies in this area explore drug impact on behavior and brain chemistry. Our internationally recognized experts in this line of research have pioneered several key pharmacological assays and advanced the drug discrimination paradigm to understand the effects of various psychoactive substances, aiding in the development of new central nervous system (CNS) drugs.
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Bioinformatics
Bioinformatics techniques are widely used to pinpoint genes associated with diseases and scrutinize the differences within and among genes and gene families. By merging this data with insights into protein structures and functions, our researchers aim to discover new proteins relevant to therapy, understand their mechanisms and gain insights for designing new drugs. Current research at the school in this area includes the development of antibiotics targeting bacteria in the oral microbiome and studying bacteriophages to fight bacterial infections.
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Centrally-Acting Agents
Research in this area focuses on drugs that balance neurotransmitters to treat mental and neurological disorders. Our internationally-known scientists in this line of research are developing new therapies for Alzheimer's, depression, schizophrenia and pain management and work in close collaboration with the VCU Department of Pharmacology and Toxicology.
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Chemical Biology
Using chemical techniques to study biological systems, our researchers investigate drug targets at the molecular level. Current work at the school in this line of research is leading to potential new treatments for cancer, endocrine disorders, bacterial infections and infectious diseases.
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Drugs of Abuse
Studying drugs of abuse provides insights into brain receptors and transporters with the aim of developing new treatments for addiction and other disorders. Our scientists in this area are exploring various lines of research including the roles of subtypes of serotonin receptors, designer drug components and subtype selectivity of opioid-binding ligands.
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Molecular Modeling, Drug Discovery and Design
Molecular modeling uses computer techniques to visualize and design new drug molecules. Using advanced computer models to study drug molecules and their interactions, our researchers are discovering new treatments for neurochemistry disorders, enzyme inhibition disorders and dysregulation of proteins in diseases, including emphysema, inflammation, cystic fibrosis and cancer.
Faculty in this focus area:
- Umesh Desai
- Malgorzata Dukat
- Keith Ellis
- Glen Kellogg
- Richard Glennon
- Martin Safo
- Shijun Zhang
- Yan Zhang
Natural Product Synthesis
Natural products form the basis of many antibiotics, anticancer and antiviral drugs and major medications. Our scientists are optimizing natural products through engineered biosynthesis to enhance their therapeutic effects and create new and more potent antibiotics.
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Neurodegenerative and Inflammatory Disorders
This area of research aims to develop novel and effective treatments for neurodegenerative diseases, such as Alzheimer's and Alzheimer's related dementia, Parkinson's, multiple sclerosis and traumatic brain injury, by understanding and targeting molecular mechanisms underlying the pathophysiologies, including protein aggregation, inflammation and mitochondrial dysfunction.
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Next Generation Antibiotics
Our researchers are focusing on next-generation antibacterial strategies that target pathogens' ability to cause infection. Their studies aim to reduce antibiotic resistance and include studying natural inhibitors produced by bacteria.
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QSAR Technology Development
Quantitative Structure-Activity Relationships (QSAR) utilize mathematical methods to connect molecular structure with biological activity, aiding in the design of new drugs by predicting how chemical changes affect their effectiveness. The department and its faculty are internationally recognized for over 40 years of contributions to QSAR technology.
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Structural Biology
Structural biology has become an indispensable tool for determining the three-dimensional (3D) structures of macromolecules (e.g., proteins and nucleic acids) for a comprehensive understanding of their functions on molecular level, as well as a detailed atomic level description of potential binding cavities that can be targeted for structure-based drug design or discovery. Our researchers use several structural biology techniques, including Computational, Cryo-EM, X-ray crystallography and NMR in conjunction with a comprehensive array of modern biophysical, molecular/cellular biology, medicinal chemistry, chemical biology and biochemical techniques to study protein structures and functions, aiding in the design of new drugs for various diseases.
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X-Ray Crystallography and Cryo-Electron Microscopy (cryo-EM)
X-ray crystallography and cryo-electron microscopy play crucial roles in understanding how proteins are structured and function in the body. Our medicinal chemists are pivotal in this work, using drug design principles that involve X-ray crystallography to find molecules that interact with protein structures in three dimensions and cryo-EM to determine the effectiveness of a drug. Our investments in advanced X-ray crystallography technology and cryo-EM technology have supported work on cancer, infectious diseases and cardiovascular disorders.
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The VCU Department of Medicinal Chemistry in the School of Pharmacy has a long history of groundbreaking research that has been led by a series of distinguished scientists and department chairs. Together, they and many other talented faculty members created a drug discovery ecosystem that incorporates the many tools for creative and innovative discovery of new chemical and biological agents for treatment of a wide range of diseases and disorders.
The article "Merging cultures and disciplines to create a drug discovery ecosystem at Virginia Commonwealth University: Medicinal chemistry, structural biology, molecular and behavioral pharmacology and computational chemistry" recounts how medicinal chemistry, structural biology, molecular and behavioral pharmacology and computational chemistry were brought together in the department over the past five decades to create the VCU drug discovery ecosystem.