The Wang Laboratory focuses on drug discovery and chemical biology, with particular emphasis on the development of first-in-class small-molecule drug candidates that enable target validation and translational therapeutic development. Our research integrates medicinal chemistry, computational modeling, structural biology, pharmacology, and chemical biology to understand how small molecules modulate biological targets and to design therapeutics with improved potency, selectivity, and resistance profiles.

Our multidisciplinary approach combines AI-driven drug design, structure-based drug discovery, ultra-large virtual screening, and machine learning–guided prioritization with experimental validation through mechanism-informed assay development, direct-to-biology parallel synthesis, pharmacokinetic profiling, and in vivo efficacy studies in animal models. These integrated strategies enable the rapid identification and optimization of new chemical scaffolds and therapeutic candidates.

A central focus of our work is the development of chemical probes that enable the discovery and validation of novel drug targets. We explore diverse chemical modalities, including covalent inhibitors, PROTAC degraders, and molecular glues, to interrogate protein function and therapeutic potential.

As academic drug hunters, we aim to bridge basic science and translational medicine by elucidating new mechanisms of action and developing innovative therapeutic strategies. Notable accomplishments from our laboratory include the discovery of dihaloacetamide-based cysteine-reactive warheads, the development of first-in-class SARS-CoV-2 papain-like protease (PLpro) inhibitors with demonstrated in vivo antiviral efficacy, the design of VP1-targeting PROTAC antivirals, and the structure-based prediction and experimental validation of clinically relevant resistance mutations against SARS-CoV-2 protease inhibitors such as nirmatrelvir.

While much of our foundational work has focused on antiviral drug discovery, we are actively expanding our research to address unmet medical needs in cancer and other complex diseases. Our long-term goal is to develop mechanistically novel therapeutics with improved efficacy, selectivity, and durability across a broad range of disease areas.

The Wang Lab currently has open positions at all levels, including postdoctoral fellows, graduate students, technicians, and undergraduate researchers. Candidates with interests in medicinal chemistry, chemical biology, pharmacology, assay development, computational drug design, high-throughput screening, and molecular biology are encouraged to contact Dr. Jun Wang (junwang@pharmacy.rutgers.edu) to learn more about research opportunities in the laboratory.