Welcome to Dr. Imtaiyaz Hassan’s lab
We combine computational and experimental methods to study protein structure–function and advance drug discovery. Using biophysical and computational approaches, we address key biomedical challenges, accelerating therapeutic target discovery and precision therapies for diseases lacking treatments.
Our research areas
AI‑Driven Drug Discovery
Leveraging artificial intelligence and computational methods to revolutionize drug discovery processes. This research area focuses on virtual high-throughput screening, molecular dynamics simulations, and machine learning approaches to identify potential therapeutic compounds. Our work integrates multiomics data analysis, network-based approaches, and structure-based drug design to discover novel drug targets and optimize lead compounds. We employ advanced computational techniques including deep learning models, molecular docking, and QSAR modeling to accelerate the drug development pipeline.
Brain Disorder Research
Advancing understanding of neurodegenerative disorders including Alzheimer's and Huntington's diseases through molecular and computational approaches. Our research investigates the molecular mechanisms underlying neurodegeneration, including protein aggregation, neuroinflammation, and cellular dysfunction. We focus on identifying novel therapeutic targets and developing neuroprotective strategies. Through gene expression analysis and molecular marker identification, we contribute to early diagnosis and treatment monitoring of neurodegenerative conditions.
Cancer Biology and Therapeutics
Developing innovative therapeutic strategies for various cancer types through molecular understanding of tumor biology. Our research encompasses breast cancer, lung cancer, and other malignancies, focusing on identifying novel therapeutic targets and mechanisms of action. We investigate cellular processes such as mitophagy, cell cycle regulation, and tumor suppressor pathways to develop targeted cancer therapies. Through comprehensive genomic and proteomic analyses, we identify biomarkers for cancer diagnosis and prognosis.
Kinase Inhibition & cell signaling
Investigating protein kinases as critical therapeutic targets in disease pathways. Our research focuses on cyclin-dependent kinases (CDKs), sphingosine kinases, and other key signaling molecules involved in cell cycle regulation and cellular proliferation. We develop selective kinase inhibitors and study their mechanisms of action in various disease contexts. Through detailed structural and functional analyses, we explore kinase-substrate interactions and identify novel regulatory mechanisms. Our work contributes to understanding how kinase dysregulation leads to pathological conditions.
Natural Product-Based Therapeutics
Exploring the vast potential of natural bioactive compounds for therapeutic applications. Our research investigates plant-derived molecules such as thymoquinone, baicalin, artemisinin, and rutin for their anticancer and antimicrobial properties. We focus on understanding the molecular mechanisms of action of these natural products and their potential for drug development. Through comprehensive biochemical and computational analyses, we evaluate the therapeutic efficacy of natural compounds against various diseases including cancer and infectious diseases.
