Research

I am currently a PhD scholar in Medicinal Chemistry at the University of Michigan, Ann Arbor, where I am actively involved with the Biomolecules Innovation Team (U-M BIT) under the guidance of Professor Robert Cichewicz. My research is centered on exploring computational tools and peptide synthesis to design and understand the magic behind peptide molecules that can morph into life-changing drugs. I am excited to contribute to innovative solutions that could lead to new treatments for diseases.

Research Interests

My research interests lie at the interface of computational medicinal chemistry, peptide science, and anti-infective drug discovery, with a focus on developing novel small molecules and peptides to combat drug-resistant pathogens and neglected diseases. Specifically, I am interested in:

• Integrated Computational and Experimental Drug Discovery: Combining in silico techniques with laboratory-based synthesis and evaluation to streamline the identification of potent and selective therapeutic agents.

• Structure-Based Drug Design (SBDD): Designing novel ligands and inhibitors through molecular docking, de novo design, pharmacophore modeling, and molecular dynamics simulations to understand and predict protein–ligand interactions.

• Virtual High-Throughput Screening (vHTS): Deploying large-scale virtual screening workflows using commercial and natural product libraries to discover bioactive compounds with anti-infective potential.

• Peptide Synthesis and Macrocyclization: Applying solid-phase peptide synthesis (SPPS) and macrocyclization strategies to generate constrained peptides with improved metabolic stability, membrane permeability, and target affinity.

• Anti-Infective Therapeutics: Targeting essential enzymes and protein–protein interactions in Plasmodium falciparum and other infectious agents using rational drug design approaches.

Through these focus areas, I aim to bridge computational predictions with tangible chemical entities, contributing to the discovery of next-generation therapeutics.

Previous Research

Design of HDAC Inhibitors for Glioblastoma

During my master’s studies at Taipei Medical University, I focused on the rational design, synthesis, and discovery of novel histone deacetylase (HDAC) inhibitors for the treatment of glioblastoma. Utilizing organic synthesis and computational simulations, I identified several promising compounds that demonstrated potential inhibitory activity against HDAC, a key target in glioblastoma therapy.

Identification of HIV-1 Protease Inhibitors

As part of my undergraduate thesis, I conducted a study on drug-repositioning to discover potential HIV-1 protease inhibitors. By employing in silico techniques, I demonstrated that FDA-approved drugs could be repurposed as HIV protease inhibitors, which could significantly reduce research and development costs and accelerate the timeline for antiretroviral drug discovery. This project was presented at the 2020 LatinXChem Twitter conference.

SARS-CoV-2 Antiviral Discovery

In response to the COVID-19 pandemic, I engaged in a research project aimed at identifying potential antivirals against SARS-CoV-2. Through virtual screening and molecular dynamics simulations, I evaluated a library of compounds for their ability to inhibit key viral proteins, contributing to the global effort to find effective treatments against the virus.

Future Directions

My future research aims to continue advancing computational methods in drug discovery, particularly in the following areas:

• Malaria Research: Expanding my current work on Plasmodium peptide targets to explore new molecular scaffolds and potential therapeutic agents that can overcome drug resistance.

• Epigenetic Modulators: Developing novel inhibitors that can specifically target epigenetic regulators involved in cancer, with the goal of contributing to the next generation of cancer therapies.

• Interdisciplinary Collaboration: Engaging in collaborations that bridge computational chemistry, biology, and experimental pharmacology to translate computational predictions into real-world therapeutic applications.

Collaborations and Opportunities

I am always interested in exploring new collaborations, whether they be in computational drug design, experimental validation, or interdisciplinary research projects. If you are interested in working together or have a project that aligns with my research interests, please feel free to reach out to me through the Contact Page.