Optimization of a KCC2 Small Molecule Agonist and the Development of an In-Silico Model of Intermolecular Dynamics for the Rational Design of Therapeutics Against Opioid Use Disorder

Authors

William H.D. Ho, Noorda College of Osteopathic MedicineFollow
Alfred Amendolara, Noorda College of Osteopathic Medicine
Kenyon Mitchell, Noorda College of Osteopathic Medicine
Jaden Miner, Noorda College of Osteopathic Medicine
Braxton Bingham, Noorda College of Osteopathic Medicine
Andrew Payne, Noorda College of Osteopathic Medicine

Publication Date

2-18-2026

Description

Roseman University Research Symposium

Wednesday, February 18, 2026 | 3:00 – 6:00 pm (local time)

Disciplines

Medical Pharmacology | Medicinal and Pharmaceutical Chemistry | Pharmaceutics and Drug Design | Pharmacy and Pharmaceutical Sciences | Translational Medical Research

Keywords

Opioid Use Disorder (OUD), KCC2 (Potassium–Chloride Cotransporter), GABAergic Inhibitory Signaling, Chloride Gradient Homeostasis, Binding Site Identification, In Silico Hit Identification, Iterative R-Group Lead Optimization, Structure-Based Drug Discovery and Development, Molecular Dynamics Modeling, Machine Learning Medicinal Chemistry

Document Type

Poster

Recommended Citation

Ho, William H.D.; Amendolara, Alfred; Mitchell, Kenyon; Miner, Jaden; Bingham, Braxton; and Payne, Andrew, "Optimization of a KCC2 Small Molecule Agonist and the Development of an In-Silico Model of Intermolecular Dynamics for the Rational Design of Therapeutics Against Opioid Use Disorder" (2026). Annual Research Symposium. 3.
https://ecommons.roseman.edu/researchsymposium/2026/basic_sciences/3

Event Website

https://www.roseman.edu/research/research-symposium/