Joseph CalihanSCIENCE · RESEARCH · WRITING

RESEARCH & PROJECTS

Questions across
disciplines.

Selected work connecting molecular interactions, drug disposition, toxicology, and the decisions that shape drug development.

01

SELF-DIRECTED RESEARCH

PBPK Modeling of Fentanyl Distribution and Adipose Tissue Release

Investigating fentanyl pharmacokinetics through adipose tissue sequestration and delayed systemic release. The project combines literature-derived ADME parameters with physiologically based pharmacokinetic (PBPK) modeling to explore lipophilicity, tissue distribution, and the hypothesis of re-intoxication following rapid weight loss.

Pharmacokinetics · PBPK modeling · Drug distribution

02

EXPLORATORY COMPUTATIONAL CHEMISTRY

Computational Docking and ADMET Analysis of Opioid Ligands

Exploring opioid ligand binding and predicted pharmacokinetic properties through molecular docking and cheminformatics. The work connects structure–activity relationships with predicted absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles to examine how molecular features may influence biological activity.

Molecular docking · Cheminformatics · ADMET prediction

03

CONCEPTUAL FRAMEWORK

Integrated Drug Discovery Framework

A framework connecting medicinal chemistry optimization, physiologically based pharmacokinetic modeling, and regulatory strategy early in drug development. It explores how these disciplines can inform one another when evaluating the path from a promising molecule to a development candidate.

Medicinal chemistry · PBPK modeling · Regulatory strategy

04

REGULATORY RESEARCH

Clinical Trial Transparency and Regulatory Reporting Analysis

Examining clinical trial reporting requirements under ClinicalTrials.gov and related transparency policies. The analysis considers how reporting standards shape drug development oversight and regulatory compliance.

Clinical trial transparency · Regulatory science · Reporting standards